N-[4-[[4-(2-methylcyclohexa-2,5-dien-1-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-methylcyclohexa-2,5-dien-1-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-methylcyclohexa-2,5-diene-1-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(2-methyl-1-cyclohexa-2,5-dienyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-methylcyclohexa-2,5-diene-1-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2-methylcyclohexa-2,5-diene-1-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC=CC1C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CCC=CC1C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H29N3O2/c1-17-6-3-4-7-21(17)22(27)25-13-5-12-24(14-15-25)16-19-8-10-20(11-9-19)23-18(2)26/h4,6-11,21H,3,5,12-16H2,1-2H3,(H,23,26)