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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C23H28N4O3/c1-29-21-9-8-20(14-22(21)30-2)25-23(28)17-27-11-3-10-26(12-13-27)16-19-6-4-18(15-24)5-7-19/h4-9,14H,3,10-13,16-17H2,1-2H3,(H,25,28)