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

Systemtic Name: N-tert-butyl-N-[3-[(3-ethylphenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[(3-ethylphenyl)carbamoylamino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[(3-ethylanilino)-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[(3-ethylphenyl)carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[3-[(3-ethylphenyl)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:

CCC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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