N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-ethanoylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl]-3-methyl-thiophene-2-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-N-[[2-(4-ethanoylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl]-3-methyl-thiophene-2-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-6-methyl-3-quinolyl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-thiophene-2-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-6-methyl-3-quinolinyl]methyl]-N-[2-(1-cyclohexenyl)ethyl]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-6-methylquinolin-3-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methylthiophene-2-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)-6-methyl-3-quinolyl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-thiophene-2-carboxamide Formula: C31H38N4O2S MolecularWeight: 530.72402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)N3CCN(CC3)C(=O)C)CN(CCC4=CCCCC4)C(=O)C5=C(C=CS5)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)N3CCN(CC3)C(=O)C)CN(CCC4=CCCCC4)C(=O)C5=C(C=CS5)C

InChI

InChI=1S/C31H38N4O2S/c1-22-9-10-28-26(19-22)20-27(30(32-28)34-16-14-33(15-17-34)24(3)36)21-35(13-11-25-7-5-4-6-8-25)31(37)29-23(2)12-18-38-29/h7,9-10,12,18-20H,4-6,8,11,13-17,21H2,1-3H3