4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(3,6-dihydro-2H-pyridin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(3,6-dihydro-2H-pyridin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(3,6-dihydro-2H-pyridin-1-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(3,6-dihydro-2H-pyridin-1-yl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(3,6-dihydro-2H-pyridin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(3,6-dihydro-2H-pyridin-1-yl)phthalazine-6-carbonitrile Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCC=CC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCC=CC4)C#N)Cl

InChI

InChI=1S/C22H20ClN5O/c1-29-21-6-5-15(10-19(21)23)13-25-22-17-9-16(12-24)11-20(18(17)14-26-27-22)28-7-3-2-4-8-28/h2-3,5-6,9-11,14H,4,7-8,13H2,1H3,(H,25,27)