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

Systemtic Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-pyrrolidin-3-ylpropoxy)quinoline-3-carboxylate Openeye Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-pyrrolidin-3-ylpropoxy)quinoline-3-carboxylate CAS Name: 4-[4-[(4-cyanoanilino)-oxomethyl]-1-piperazinyl]-6-methoxy-7-[1-(3-pyrrolidinyl)propoxy]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-pyrrolidin-3-ylpropoxy)quinoline-3-carboxylate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl]piperazino]-6-methoxy-7-(1-pyrrolidin-3-ylpropoxy)quinoline-3-carboxylic acid ethyl ester Formula: C32H38N6O5 MolecularWeight: 586.68132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCNC1)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(C1CCNC1)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/C32H38N6O5/c1-4-27(22-10-11-34-19-22)43-29-17-26-24(16-28(29)41-3)30(25(20-35-26)31(39)42-5-2)37-12-14-38(15-13-37)32(40)36-23-8-6-21(18-33)7-9-23/h6-9,16-17,20,22,27,34H,4-5,10-15,19H2,1-3H3,(H,36,40)