N-(2,6-diethylphenyl)-2-[4-(2-methylcyclohexa-2,5-dien-1-yl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(2-methylcyclohexa-2,5-dien-1-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(2-methylcyclohexa-2,5-diene-1-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[(2-methyl-1-cyclohexa-2,5-dienyl)-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(2-methylcyclohexa-2,5-diene-1-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(2-methylcyclohexa-2,5-diene-1-carbonyl)-1,4-diazepan-1-yl]acetamide Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3C=CCC=C3C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3C=CCC=C3C

InChI

InChI=1S/C25H35N3O2/c1-4-20-11-8-12-21(5-2)24(20)26-23(29)18-27-14-9-15-28(17-16-27)25(30)22-13-7-6-10-19(22)3/h7-8,10-13,22H,4-6,9,14-18H2,1-3H3,(H,26,29)