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

Systemtic Name: N-[(6aS,8S)-2-(2-fluorophenyl)-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]benzamide Openeye Name: N-[(6aS,8S)-2-(2-fluorophenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]benzamide CAS Name: N-[(6aS,8S)-2-(2-fluorophenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]benzamide IUPAC Name: N-[(6aS,8S)-2-(2-fluorophenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]benzamide Traditional Name: N-[(6aS,8S)-2-(2-fluorophenyl)-6,11-diketo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]benzamide Formula: C25H20FN3O3 MolecularWeight: 429.443003

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN2C1C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](CN2[C@@H]1C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20FN3O3/c26-20-9-5-4-8-18(20)16-10-11-21-19(12-16)25(32)29-14-17(13-22(29)24(31)28-21)27-23(30)15-6-2-1-3-7-15/h1-12,17,22H,13-14H2,(H,27,30)(H,28,31)/t17-,22-/m0/s1