(8-methyl-2-pyridin-3-yl-quinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: (8-methyl-2-pyridin-3-yl-quinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[8-methyl-2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [8-methyl-2-(3-pyridinyl)-4-quinolinyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: (8-methyl-2-pyridin-3-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[8-methyl-2-(3-pyridyl)-4-quinolyl]methanone Formula: C29H28N4O MolecularWeight: 448.55882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H28N4O/c1-22-8-5-13-25-26(20-27(31-28(22)25)24-12-6-14-30-21-24)29(34)33-18-16-32(17-19-33)15-7-11-23-9-3-2-4-10-23/h2-14,20-21H,15-19H2,1H3/b11-7+