(6aS)-2-methoxy-3-[8-[2-methoxy-4-[(E)-3-oxidanylidene-3-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]prop-1-enyl]phenoxy]octoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: (6aS)-2-methoxy-3-[8-[2-methoxy-4-[(E)-3-oxidanylidene-3-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]prop-1-enyl]phenoxy]octoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: (6aS)-2-methoxy-3-[8-[2-methoxy-4-[(E)-3-oxo-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]prop-1-enyl]phenoxy]octoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: (6aS)-2-methoxy-3-[8-[2-methoxy-4-[(E)-3-oxo-3-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]prop-1-enyl]phenoxy]octoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: (6aS)-2-methoxy-3-[8-[2-methoxy-4-[(E)-3-oxo-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]prop-1-enyl]phenoxy]octoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: (6aS)-3-[8-[4-[(E)-3-keto-3-[4-(3,4,5-trimethoxybenzoyl)piperazino]prop-1-enyl]-2-methoxy-phenoxy]octoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C45H56N4O10 MolecularWeight: 812.94694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)OCCCCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OCCCCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)OC

InChI

InChI=1S/C45H56N4O10/c1-53-37-25-31(15-17-42(50)47-19-21-48(22-20-47)44(51)32-26-40(55-3)43(57-5)41(27-32)56-4)14-16-36(37)58-23-10-8-6-7-9-11-24-59-39-29-35-34(28-38(39)54-2)45(52)49-18-12-13-33(49)30-46-35/h14-17,25-30,33H,6-13,18-24H2,1-5H3/b17-15+/t33-/m0/s1