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

Systemtic Name: (6-methyl-2-thiophen-2-yl-quinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[6-methyl-2-(2-thienyl)-4-quinolyl]methanone CAS Name: (6-methyl-2-thiophen-2-yl-4-quinolinyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: (6-methyl-2-thiophen-2-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[6-methyl-2-(2-thienyl)-4-quinolyl]methanone Formula: C28H27N3OS MolecularWeight: 453.59848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C28H27N3OS/c1-21-11-12-25-23(19-21)24(20-26(29-25)27-10-6-18-33-27)28(32)31-16-14-30(15-17-31)13-5-9-22-7-3-2-4-8-22/h2-12,18-20H,13-17H2,1H3/b9-5+