N-(2-chlorophenyl)-3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]propanamide Openeye Name: N-(2-chlorophenyl)-3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]propanamide CAS Name: N-(2-chlorophenyl)-3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]propanamide IUPAC Name: N-(2-chlorophenyl)-3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]propanamide Traditional Name: N-(2-chlorophenyl)-3-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]propionamide Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=C(C=C2)C#N)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=C(C=C2)C#N)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN4O/c23-20-4-1-2-5-21(20)25-22(28)10-13-26-11-3-12-27(15-14-26)17-19-8-6-18(16-24)7-9-19/h1-2,4-9H,3,10-15,17H2,(H,25,28)