N-[[3-(aminomethyl)phenyl]methyl]-N-(2-methylpropyl)-2-oxidanylidene-2-(2-oxidanylidene-4-phenyl-azepan-1-yl)ethanamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-N-(2-methylpropyl)-2-oxidanylidene-2-(2-oxidanylidene-4-phenyl-azepan-1-yl)ethanamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-N-isobutyl-2-oxo-2-(2-oxo-4-phenyl-azepan-1-yl)acetamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-N-(2-methylpropyl)-2-oxo-2-(2-oxo-4-phenyl-1-azepanyl)acetamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-N-(2-methylpropyl)-2-oxo-2-(2-oxo-4-phenylazepan-1-yl)acetamide Traditional Name: N-[3-(aminomethyl)benzyl]-N-isobutyl-2-keto-2-(2-keto-4-phenyl-azepan-1-yl)acetamide Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC(=C1)CN)C(=O)C(=O)N2CCCC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC1=CC=CC(=C1)CN)C(=O)C(=O)N2CCCC(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O3/c1-19(2)17-28(18-21-9-6-8-20(14-21)16-27)25(31)26(32)29-13-7-12-23(15-24(29)30)22-10-4-3-5-11-22/h3-6,8-11,14,19,23H,7,12-13,15-18,27H2,1-2H3