(6aS)-3-[5-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: (6aS)-3-[5-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: (6aS)-3-[5-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: (6aS)-3-[5-[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: (6aS)-3-[5-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: (6aS)-3-[5-[4-(6,7-dimethoxyquinazolin-4-yl)piperazino]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C32H40N6O5 MolecularWeight: 588.6972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)CCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)CCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC)OC

InChI

InChI=1S/C32H40N6O5/c1-40-27-16-23-25(18-29(27)42-3)34-21-35-31(23)37-13-11-36(12-14-37)9-5-4-6-15-43-30-19-26-24(17-28(30)41-2)32(39)38-10-7-8-22(38)20-33-26/h16-22H,4-15H2,1-3H3/t22-/m0/s1