N-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-5-(4-fluorophenyl)-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanamide

Systemtic Name: N-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-5-(4-fluorophenyl)-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanamide Openeye Name: N-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-5-(4-fluorophenyl)-2-oxo-7-phenyl-azepan-1-yl]acetamide CAS Name: N-[3-(N-[(tert-butylamino)-oxomethyl]-3-methylanilino)-5-(4-fluorophenyl)-2-oxo-7-phenyl-1-azepanyl]acetamide IUPAC Name: N-[3-[N-(tert-butylcarbamoyl)-3-methylanilino]-5-(4-fluorophenyl)-2-oxo-7-phenylazepan-1-yl]acetamide Traditional Name: N-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-5-(4-fluorophenyl)-2-keto-7-phenyl-azepan-1-yl]acetamide Formula: C32H37FN4O3 MolecularWeight: 544.659583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2CC(CC(N(C2=O)NC(=O)C)C3=CC=CC=C3)C4=CC=C(C=C4)F)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2CC(CC(N(C2=O)NC(=O)C)C3=CC=CC=C3)C4=CC=C(C=C4)F)C(=O)NC(C)(C)C

InChI

InChI=1S/C32H37FN4O3/c1-21-10-9-13-27(18-21)36(31(40)34-32(3,4)5)29-20-25(23-14-16-26(33)17-15-23)19-28(24-11-7-6-8-12-24)37(30(29)39)35-22(2)38/h6-18,25,28-29H,19-20H2,1-5H3,(H,34,40)(H,35,38)