N-tert-butyl-N-[3-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-N-[3-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[3-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-5,7-diphenyl-azepan-1-yl]acetamide Formula: C33H40N4O3 MolecularWeight: 540.6957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C33H40N4O3/c1-22-17-18-28(19-23(22)2)34-32(40)35-29-20-27(25-13-9-7-10-14-25)21-30(26-15-11-8-12-16-26)36(31(29)39)37(24(3)38)33(4,5)6/h7-19,27,29-30H,20-21H2,1-6H3,(H2,34,35,40)