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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C23H28N4O MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H28N4O/c1-18-5-3-6-22(19(18)2)25-23(28)17-27-12-4-11-26(13-14-27)16-21-9-7-20(15-24)8-10-21/h3,5-10H,4,11-14,16-17H2,1-2H3,(H,25,28)