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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)OCCCN3CCNCC3)OC)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)OCCCN3CCNCC3)OC)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H39N7O5/c1-3-43-31(40)26-22-35-27-20-29(44-18-4-11-37-12-9-34-10-13-37)28(42-2)19-25(27)30(26)38-14-16-39(17-15-38)32(41)36-24-7-5-23(21-33)6-8-24/h5-8,19-20,22,34H,3-4,9-18H2,1-2H3,(H,36,41)