N-[1-(2,2-dimethylpropyl)-2-oxidanylidene-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-3-(1-ethanoylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-3-oxidanylidene-propanamide

Systemtic Name: N-[1-(2,2-dimethylpropyl)-2-oxidanylidene-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-3-(1-ethanoylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-3-oxidanylidene-propanamide Openeye Name: 3-(1-acetyl-4-piperidyl)-N-[1-(2,2-dimethylpropyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]-3-oxo-propanamide CAS Name: 3-(1-acetyl-4-piperidinyl)-N-[1-(2,2-dimethylpropyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]-3-oxopropanamide IUPAC Name: 3-(1-acetylpiperidin-4-yl)-N-[1-(2,2-dimethylpropyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]-N-[(2-fluorophenyl)methyl]-3-oxopropanamide Traditional Name: 3-(1-acetyl-4-piperidyl)-N-(2-fluorobenzyl)-3-keto-N-(2-keto-1-neopentyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C31H39FN4O4 MolecularWeight: 550.664163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)CC(=O)N(CC2=CC=CC=C2F)C3C(=O)N(C4=CC=CC=C4CN3)CC(C)(C)C

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)CC(=O)N(CC2=CC=CC=C2F)C3C(=O)N(C4=CC=CC=C4CN3)CC(C)(C)C

InChI

InChI=1S/C31H39FN4O4/c1-21(37)34-15-13-22(14-16-34)27(38)17-28(39)35(19-24-10-5-7-11-25(24)32)29-30(40)36(20-31(2,3)4)26-12-8-6-9-23(26)18-33-29/h5-12,22,29,33H,13-20H2,1-4H3