[3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl quinoline-4-carboxylate

Systemtic Name: [3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)phenyl]methyl quinoline-4-carboxylate Openeye Name: [3-[(7-chloro-4-quinolyl)amino]-5-[[2-(1-piperidyl)acetyl]amino]phenyl]methyl quinoline-4-carboxylate CAS Name: 4-quinolinecarboxylic acid [3-[(7-chloro-4-quinolinyl)amino]-5-[[1-oxo-2-(1-piperidinyl)ethyl]amino]phenyl]methyl ester IUPAC Name: [3-[(7-chloroquinolin-4-yl)amino]-5-[(2-piperidin-1-ylacetyl)amino]phenyl]methyl quinoline-4-carboxylate Traditional Name: cinchoninic acid [3-[(7-chloro-4-quinolyl)amino]-5-[(2-piperidinoacetyl)amino]benzyl] ester Formula: C33H30ClN5O3 MolecularWeight: 580.076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)COC(=O)C5=CC=NC6=CC=CC=C56

Isomeric SMILES

C1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)COC(=O)C5=CC=NC6=CC=CC=C56

InChI

InChI=1S/C33H30ClN5O3/c34-23-8-9-28-30(11-13-36-31(28)18-23)37-24-16-22(17-25(19-24)38-32(40)20-39-14-4-1-5-15-39)21-42-33(41)27-10-12-35-29-7-3-2-6-26(27)29/h2-3,6-13,16-19H,1,4-5,14-15,20-21H2,(H,36,37)(H,38,40)