N-[2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]pyridine-3-carboxamide

Systemtic Name: N-[2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]pyridine-3-carboxamide Openeye Name: N-[2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: N-[2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridine-3-carboxamide Traditional Name: N-[2-[4-(4-acetamidobenzyl)-1,4-diazepan-1-yl]-2-keto-ethyl]nicotinamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H27N5O3/c1-17(28)25-20-7-5-18(6-8-20)16-26-10-3-11-27(13-12-26)21(29)15-24-22(30)19-4-2-9-23-14-19/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,24,30)(H,25,28)