(E)-1-[4-[4-(3-methylbutyl)piperazin-1-yl]carbonylphenyl]-3-quinolin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[4-(3-methylbutyl)piperazin-1-yl]carbonylphenyl]-3-quinolin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-isopentylpiperazine-1-carbonyl)phenyl]-3-(2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-[[4-(3-methylbutyl)-1-piperazinyl]-oxomethyl]phenyl]-3-(2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[4-(3-methylbutyl)piperazine-1-carbonyl]phenyl]-3-quinolin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-isoamylpiperazine-1-carbonyl)phenyl]-3-(2-quinolyl)prop-2-en-1-one Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H31N3O2/c1-21(2)15-16-30-17-19-31(20-18-30)28(33)24-9-7-23(8-10-24)27(32)14-13-25-12-11-22-5-3-4-6-26(22)29-25/h3-14,21H,15-20H2,1-2H3/b14-13+