(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)prop-2-en-1-one Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O2/c1-21-20-24(22(2)30(21)25-10-6-5-7-11-25)12-13-26(31)28-18-14-23(15-19-28)27(32)29-16-8-3-4-9-17-29/h5-7,10-13,20,23H,3-4,8-9,14-19H2,1-2H3/b13-12+