3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

Systemtic Name: 3-[(7-chloranylquinolin-4-yl)amino]-5-(2-piperidin-1-ylethanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 3-[(7-chloro-4-quinolyl)amino]-5-[[2-(1-piperidyl)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 3-[(7-chloro-4-quinolinyl)amino]-5-[[1-oxo-2-(1-piperidinyl)ethyl]amino]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 3-[(7-chloroquinolin-4-yl)amino]-5-[(2-piperidin-1-ylacetyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 3-[(7-chloro-4-quinolyl)amino]-5-[(2-piperidinoacetyl)amino]-N-(2-pyrrolidinoethyl)benzamide Formula: C29H35ClN6O2 MolecularWeight: 535.0802

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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)C(=O)NCCN5CCCC5

Isomeric SMILES

C1CCN(CC1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NCCN5CCCC5

InChI

InChI=1S/C29H35ClN6O2/c30-22-6-7-25-26(8-9-31-27(25)18-22)33-23-16-21(29(38)32-10-15-35-11-4-5-12-35)17-24(19-23)34-28(37)20-36-13-2-1-3-14-36/h6-9,16-19H,1-5,10-15,20H2,(H,31,33)(H,32,38)(H,34,37)