4-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-cyanophenyl)-N-[2-(3-pyridyl)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(2-cyanophenyl)-N-[2-(3-pyridinyl)ethyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-cyanophenyl)-N-[2-(3-pyridyl)ethyl]-1,4-diazepane-1-carboxamide Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCCC2=CN=CC=C2)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCC2=CN=CC=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H23N5O/c21-15-18-6-1-2-7-19(18)24-11-4-12-25(14-13-24)20(26)23-10-8-17-5-3-9-22-16-17/h1-3,5-7,9,16H,4,8,10-14H2,(H,23,26)