N-[(6aS,8S)-2-(2,4-dimethoxyphenyl)-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[(6aS,8S)-2-(2,4-dimethoxyphenyl)-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[(6aS,8S)-2-(2,4-dimethoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[(6aS,8S)-2-(2,4-dimethoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[(6aS,8S)-2-(2,4-dimethoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[(6aS,8S)-2-(2,4-dimethoxyphenyl)-6,11-diketo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-1-methyl-pyrrole-2-carboxamide Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC2CC3C(=O)NC4=C(C=C(C=C4)C5=C(C=C(C=C5)OC)OC)C(=O)N3C2

Isomeric SMILES

CN1C=CC=C1C(=O)N[C@H]2C[C@H]3C(=O)NC4=C(C=C(C=C4)C5=C(C=C(C=C5)OC)OC)C(=O)N3C2

InChI

InChI=1S/C26H26N4O5/c1-29-10-4-5-21(29)24(31)27-16-12-22-25(32)28-20-9-6-15(11-19(20)26(33)30(22)14-16)18-8-7-17(34-2)13-23(18)35-3/h4-11,13,16,22H,12,14H2,1-3H3,(H,27,31)(H,28,32)/t16-,22-/m0/s1