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-(methylamino)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-(methylamino)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-(methylamino)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-(methylamino)acetamide 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-(methylamino)acetamide 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-(methylamino)acetamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNCC(=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/C21H22N4O3/c1-22-11-19(26)23-15-10-18-20(27)24-17-8-7-14(13-5-3-2-4-6-13)9-16(17)21(28)25(18)12-15/h2-9,15,18,22H,10-12H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1