N-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-cycloheptyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-(4-fluorophenyl)propanamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-cycloheptyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-(4-fluorophenyl)propanamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-5-cycloheptyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanamide CAS Name: N-[1-(2-amino-2-oxoethyl)-5-cycloheptyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)-5-cycloheptyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-5-cycloheptyl-2-keto-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propionamide Formula: C33H33F3N4O3 MolecularWeight: 590.63533

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)N)NC(=O)C(CC4=CC(=C(C=C4)F)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)N)NC(=O)C(CC4=CC(=C(C=C4)F)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H33F3N4O3/c34-23-14-12-21(13-15-23)25(17-20-11-16-26(35)27(36)18-20)32(42)39-31-33(43)40(19-29(37)41)28-10-6-5-9-24(28)30(38-31)22-7-3-1-2-4-8-22/h5-6,9-16,18,22,25,31H,1-4,7-8,17,19H2,(H2,37,41)(H,39,42)