(6aS)-3-[4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: (6aS)-3-[4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: (6aS)-3-[4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: (6aS)-3-[4-[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: (6aS)-3-[4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: (6aS)-3-[4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazino]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C31H38N6O5 MolecularWeight: 574.67062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)CCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)CCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)OC

InChI

InChI=1S/C31H38N6O5/c1-39-26-15-22-24(17-28(26)41-3)33-20-34-30(22)36-12-10-35(11-13-36)8-4-5-14-42-29-18-25-23(16-27(29)40-2)31(38)37-9-6-7-21(37)19-32-25/h15-21H,4-14H2,1-3H3/t21-/m0/s1