N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H24N4O3/c23-13-17-2-4-18(5-3-17)14-25-8-1-9-26(11-10-25)15-22(27)24-19-6-7-20-21(12-19)29-16-28-20/h2-7,12H,1,8-11,14-16H2,(H,24,27)