ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-piperidin-3-ylpropoxy)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-piperidin-3-ylpropoxy)quinoline-3-carboxylate Openeye Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-[1-(3-piperidyl)propoxy]quinoline-3-carboxylate CAS Name: 4-[4-[(4-cyanoanilino)-oxomethyl]-1-piperazinyl]-6-methoxy-7-[1-(3-piperidinyl)propoxy]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-piperidin-3-ylpropoxy)quinoline-3-carboxylate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl]piperazino]-6-methoxy-7-[1-(3-piperidyl)propoxy]quinoline-3-carboxylic acid ethyl ester Formula: C33H40N6O5 MolecularWeight: 600.7079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCNC1)OC2=C(C=C3C(=C2)N=CC(=C3N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N)C(=O)OCC)OC

Isomeric SMILES

CCC(C1CCCNC1)OC2=C(C=C3C(=C2)N=CC(=C3N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N)C(=O)OCC)OC

InChI

InChI=1S/C33H40N6O5/c1-4-28(23-7-6-12-35-20-23)44-30-18-27-25(17-29(30)42-3)31(26(21-36-27)32(40)43-5-2)38-13-15-39(16-14-38)33(41)37-24-10-8-22(19-34)9-11-24/h8-11,17-18,21,23,28,35H,4-7,12-16,20H2,1-3H3,(H,37,41)