(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-quinolin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-quinolin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(2-quinolyl)prop-2-en-1-one Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H29N3O2/c28-23(12-11-21-10-9-19-7-3-4-8-22(19)25-21)26-17-13-20(14-18-26)24(29)27-15-5-1-2-6-16-27/h3-4,7-12,20H,1-2,5-6,13-18H2/b12-11+