4-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile

Systemtic Name: 4-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile Openeye Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile CAS Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-quinazolinyl]oxymethyl]-2-pyridinecarbonitrile IUPAC Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl]oxymethyl]pyridine-2-carbonitrile Traditional Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]picolinonitrile Formula: C23H16ClN5O4 MolecularWeight: 461.85724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCC5=CC(=NC=C5)C#N

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC4=C3OCO4)Cl)OCC5=CC(=NC=C5)C#N

InChI

InChI=1S/C23H16ClN5O4/c1-30-19-7-15-17(8-20(19)31-10-13-4-5-26-14(6-13)9-25)27-11-28-23(15)29-21-16(24)2-3-18-22(21)33-12-32-18/h2-8,11H,10,12H2,1H3,(H,27,28,29)