(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-N-[3-(2-oxo-1-azepanyl)propyl]-2-propenamide IUPAC Name: (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-N-[3-(2-ketoazepan-1-yl)propyl]acrylamide Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C24H31N3O2/c1-19-18-21(20(2)27(19)22-10-5-3-6-11-22)13-14-23(28)25-15-9-17-26-16-8-4-7-12-24(26)29/h3,5-6,10-11,13-14,18H,4,7-9,12,15-17H2,1-2H3,(H,25,28)/b14-13+