N-ethyl-4-oxidanylidene-5-(4-phenylazepan-1-yl)carbonyl-1-(phenylmethyl)pyridine-3-carboxamide

Systemtic Name: N-ethyl-4-oxidanylidene-5-(4-phenylazepan-1-yl)carbonyl-1-(phenylmethyl)pyridine-3-carboxamide Openeye Name: 1-benzyl-N-ethyl-4-oxo-5-(4-phenylazepane-1-carbonyl)pyridine-3-carboxamide CAS Name: N-ethyl-4-oxo-5-[oxo-(4-phenyl-1-azepanyl)methyl]-1-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: 1-benzyl-N-ethyl-4-oxo-5-(4-phenylazepane-1-carbonyl)pyridine-3-carboxamide Traditional Name: 1-benzyl-N-ethyl-4-keto-5-(4-phenylazepane-1-carbonyl)nicotinamide Formula: C28H31N3O3 MolecularWeight: 457.56404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3/c1-2-29-27(33)24-19-30(18-21-10-5-3-6-11-21)20-25(26(24)32)28(34)31-16-9-14-23(15-17-31)22-12-7-4-8-13-22/h3-8,10-13,19-20,23H,2,9,14-18H2,1H3,(H,29,33)