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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(3,4-diethoxyphenyl)acetamide Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N)OCC

InChI

InChI=1S/C25H32N4O3/c1-3-31-23-11-10-22(16-24(23)32-4-2)27-25(30)19-29-13-5-12-28(14-15-29)18-21-8-6-20(17-26)7-9-21/h6-11,16H,3-5,12-15,18-19H2,1-2H3,(H,27,30)