5-(azepan-1-ylcarbonyl)-4-oxidanylidene-1-(phenylmethyl)-N-prop-2-enyl-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-4-oxidanylidene-1-(phenylmethyl)-N-prop-2-enyl-pyridine-3-carboxamide Openeye Name: N-allyl-5-(azepane-1-carbonyl)-1-benzyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-4-oxo-1-(phenylmethyl)-N-prop-2-enyl-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-benzyl-4-oxo-N-prop-2-enylpyridine-3-carboxamide Traditional Name: N-allyl-5-(azepane-1-carbonyl)-1-benzyl-4-keto-nicotinamide Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCCCCC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3/c1-2-12-24-22(28)19-16-25(15-18-10-6-5-7-11-18)17-20(21(19)27)23(29)26-13-8-3-4-9-14-26/h2,5-7,10-11,16-17H,1,3-4,8-9,12-15H2,(H,24,28)