N-[(6aS,8S)-6,11-bis(oxidanylidene)-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methoxy-ethanamide

Systemtic Name: N-[(6aS,8S)-6,11-bis(oxidanylidene)-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methoxy-ethanamide Openeye Name: N-[(6aS,8S)-6,11-dioxo-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methoxy-acetamide CAS Name: N-[(6aS,8S)-6,11-dioxo-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methoxyacetamide IUPAC Name: N-[(6aS,8S)-6,11-dioxo-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methoxyacetamide Traditional Name: N-[(6aS,8S)-6,11-diketo-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methoxy-acetamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1CC2C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4)C(=O)N2C1

Isomeric SMILES

COCC(=O)N[C@H]1C[C@H]2C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4)C(=O)N2C1

InChI

InChI=1S/C21H21N3O4/c1-28-12-19(25)22-15-10-18-20(26)23-17-8-7-14(13-5-3-2-4-6-13)9-16(17)21(27)24(18)11-15/h2-9,15,18H,10-12H2,1H3,(H,22,25)(H,23,26)/t15-,18-/m0/s1