ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-piperazin-2-ylpropoxy)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-piperazin-2-ylpropoxy)quinoline-3-carboxylate Openeye Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-piperazin-2-ylpropoxy)quinoline-3-carboxylate CAS Name: 4-[4-[(4-cyanoanilino)-oxomethyl]-1-piperazinyl]-6-methoxy-7-[1-(2-piperazinyl)propoxy]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxy-7-(1-piperazin-2-ylpropoxy)quinoline-3-carboxylate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl]piperazino]-6-methoxy-7-(1-piperazin-2-ylpropoxy)quinoline-3-carboxylic acid ethyl ester Formula: C32H39N7O5 MolecularWeight: 601.69596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CNCCN1)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(C1CNCCN1)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/C32H39N7O5/c1-4-27(26-20-34-10-11-35-26)44-29-17-25-23(16-28(29)42-3)30(24(19-36-25)31(40)43-5-2)38-12-14-39(15-13-38)32(41)37-22-8-6-21(18-33)7-9-22/h6-9,16-17,19,26-27,34-35H,4-5,10-15,20H2,1-3H3,(H,37,41)