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

Systemtic Name: N-tert-butyl-N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[[3-(dimethylamino)anilino]-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]-2-keto-5,7-diphenyl-azepan-1-yl]acetamide Formula: C33H41N5O3 MolecularWeight: 555.71034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)N(C)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)N(C)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H41N5O3/c1-23(39)38(33(2,3)4)37-30(25-16-11-8-12-17-25)21-26(24-14-9-7-10-15-24)20-29(31(37)40)35-32(41)34-27-18-13-19-28(22-27)36(5)6/h7-19,22,26,29-30H,20-21H2,1-6H3,(H2,34,35,41)