N-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7-methoxy-quinazolin-6-yl]piperidine-4-carboxamide

Systemtic Name: N-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7-methoxy-quinazolin-6-yl]piperidine-4-carboxamide Openeye Name: N-[4-[3-chloro-4-(2-pyridylmethoxy)anilino]-7-methoxy-quinazolin-6-yl]piperidine-4-carboxamide CAS Name: N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-7-methoxy-6-quinazolinyl]-4-piperidinecarboxamide IUPAC Name: N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-methoxyquinazolin-6-yl]piperidine-4-carboxamide Traditional Name: N-[4-[3-chloro-4-(2-pyridylmethoxy)anilino]-7-methoxy-quinazolin-6-yl]isonipecotamide Formula: C27H27ClN6O3 MolecularWeight: 518.99468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)NC(=O)C5CCNCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)NC(=O)C5CCNCC5

InChI

InChI=1S/C27H27ClN6O3/c1-36-25-14-22-20(13-23(25)34-27(35)17-7-10-29-11-8-17)26(32-16-31-22)33-18-5-6-24(21(28)12-18)37-15-19-4-2-3-9-30-19/h2-6,9,12-14,16-17,29H,7-8,10-11,15H2,1H3,(H,34,35)(H,31,32,33)