2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(isoamylcarbamoyl)acetamide Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CN1CCCN(CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CN1CCCN(CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H31N5O2/c1-17(2)8-9-23-21(28)24-20(27)16-26-11-3-10-25(12-13-26)15-19-6-4-18(14-22)5-7-19/h4-7,17H,3,8-13,15-16H2,1-2H3,(H2,23,24,27,28)