2-[4-[(7-chloranylquinolin-4-yl)amino]phenyl]-N-(1-ethylpiperidin-3-yl)ethanamide hydrate

Systemtic Name: 2-[4-[(7-chloranylquinolin-4-yl)amino]phenyl]-N-(1-ethylpiperidin-3-yl)ethanamide hydrate Openeye Name: 2-[4-[(7-chloro-4-quinolyl)amino]phenyl]-N-(1-ethyl-3-piperidyl)acetamide hydrate CAS Name: 2-[4-[(7-chloro-4-quinolinyl)amino]phenyl]-N-(1-ethyl-3-piperidinyl)acetamide hydrate IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-N-(1-ethylpiperidin-3-yl)acetamide hydrate Traditional Name: 2-[4-[(7-chloro-4-quinolyl)amino]phenyl]-N-(1-ethyl-3-piperidyl)acetamide hydrate Formula: C24H29ClN4O2 MolecularWeight: 440.96566

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)NC(=O)CC2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl.O

Isomeric SMILES

CCN1CCCC(C1)NC(=O)CC2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl.O

InChI

InChI=1S/C24H27ClN4O.H2O/c1-2-29-13-3-4-20(16-29)28-24(30)14-17-5-8-19(9-6-17)27-22-11-12-26-23-15-18(25)7-10-21(22)23;/h5-12,15,20H,2-4,13-14,16H2,1H3,(H,26,27)(H,28,30);1H2