ethyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinazolin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinazolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinazolin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-2-quinazolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinazolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinazolin-2-yl]isonipecotic acid ethyl ester Formula: C25H26ClN5O3 MolecularWeight: 479.95864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H26ClN5O3/c1-3-34-24(32)18-8-10-31(11-9-18)25-29-21-6-4-16(14-27)12-19(21)23(30-25)28-15-17-5-7-22(33-2)20(26)13-17/h4-7,12-13,18H,3,8-11,15H2,1-2H3,(H,28,29,30)