N-[3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]naphthalen-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]naphthalen-2-yl]cyclopropanecarboxamide Openeye Name: N-[3-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]-2-naphthyl]cyclopropanecarboxamide CAS Name: N-[3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-naphthalenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide Traditional Name: N-[3-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]-2-naphthyl]cyclopropanecarboxamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3NC(=O)C5CC5

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3NC(=O)C5CC5

InChI

InChI=1S/C28H31N3O2/c1-20-7-2-3-10-24(20)19-30-13-6-14-31(16-15-30)28(33)25-17-22-8-4-5-9-23(22)18-26(25)29-27(32)21-11-12-21/h2-5,7-10,17-18,21H,6,11-16,19H2,1H3,(H,29,32)