4-chloranyl-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]pyridine-2-carboxamide

Systemtic Name: 4-chloranyl-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]pyridine-2-carboxamide Openeye Name: 4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]pyridine-2-carboxamide CAS Name: 4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-pyridinecarboxamide IUPAC Name: 4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridine-2-carboxamide Traditional Name: 4-chloro-N-[2-keto-2-(4-p-anisyl-1,4-diazepan-1-yl)ethyl]picolinamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CNC(=O)C3=NC=CC(=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CNC(=O)C3=NC=CC(=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-29-18-5-3-16(4-6-18)15-25-9-2-10-26(12-11-25)20(27)14-24-21(28)19-13-17(22)7-8-23-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,24,28)