2-azanyl-1-[2-(4-methoxyphenyl)carbonyl-4-(1-methylpiperidin-4-yl)-2-quinolin-8-yl-piperazin-1-yl]ethanone

Systemtic Name: 2-azanyl-1-[2-(4-methoxyphenyl)carbonyl-4-(1-methylpiperidin-4-yl)-2-quinolin-8-yl-piperazin-1-yl]ethanone Openeye Name: 2-amino-1-[2-(4-methoxybenzoyl)-4-(1-methyl-4-piperidyl)-2-(8-quinolyl)piperazin-1-yl]ethanone CAS Name: 2-amino-1-[2-[(4-methoxyphenyl)-oxomethyl]-4-(1-methyl-4-piperidinyl)-2-(8-quinolinyl)-1-piperazinyl]ethanone IUPAC Name: 2-amino-1-[2-(4-methoxybenzoyl)-4-(1-methylpiperidin-4-yl)-2-quinolin-8-ylpiperazin-1-yl]ethanone Traditional Name: 2-amino-1-[4-(1-methyl-4-piperidyl)-2-p-anisoyl-2-(8-quinolyl)piperazino]ethanone Formula: C29H35N5O3 MolecularWeight: 501.6199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(C(C2)(C3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=C(C=C5)OC)C(=O)CN

Isomeric SMILES

CN1CCC(CC1)N2CCN(C(C2)(C3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=C(C=C5)OC)C(=O)CN

InChI

InChI=1S/C29H35N5O3/c1-32-15-12-23(13-16-32)33-17-18-34(26(35)19-30)29(20-33,28(36)22-8-10-24(37-2)11-9-22)25-7-3-5-21-6-4-14-31-27(21)25/h3-11,14,23H,12-13,15-20,30H2,1-2H3