2,4-dimethoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: 2,4-dimethoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: 3-benzyloxy-2,4-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: 2,4-dimethoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: 2,4-dimethoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: 3-benzoxy-2,4-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=O)N3CCCC3C=N2)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=O)N3CCCC3C=N2)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4/c1-25-17-11-16-18(22-12-15-9-6-10-23(15)21(16)24)20(26-2)19(17)27-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,15H,6,9-10,13H2,1-2H3