4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-cyanopiperidin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-cyanopiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-cyano-1-piperidyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-cyano-1-piperidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-cyanopiperidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-cyanopiperidino)phthalazine-6-carbonitrile Formula: C23H21ClN6O MolecularWeight: 432.90544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)C#N)Cl

InChI

InChI=1S/C23H21ClN6O/c1-31-21-5-3-17(11-20(21)24)14-27-22-19-10-16(13-26)2-4-18(19)23(29-28-22)30-8-6-15(12-25)7-9-30/h2-5,10-11,15H,6-9,14H2,1H3,(H,27,28)