4-(2-methylphenyl)carbonyl-N-phenethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-methylphenyl)carbonyl-N-phenethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-methylbenzoyl)-N-phenethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(2-methylphenyl)-oxomethyl]-N-phenethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-methylbenzoyl)-N-phenethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-o-toluoyl-N-phenethyl-1,4-diazepane-1-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-18-8-5-6-11-20(18)21(26)24-14-7-15-25(17-16-24)22(27)23-13-12-19-9-3-2-4-10-19/h2-6,8-11H,7,12-17H2,1H3,(H,23,27)