4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[(4-oxidanylcyclohexyl)amino]phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[(4-oxidanylcyclohexyl)amino]phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[(4-hydroxycyclohexyl)amino]phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[(4-hydroxycyclohexyl)amino]-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[(4-hydroxycyclohexyl)amino]phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[(4-hydroxycyclohexyl)amino]phthalazine-6-carbonitrile hydrochloride Formula: C23H25Cl2N5O2 MolecularWeight: 474.3829

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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)NC4CCC(CC4)O)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)NC4CCC(CC4)O)Cl.Cl

InChI

InChI=1S/C23H24ClN5O2.ClH/c1-31-21-9-3-15(11-20(21)24)13-26-22-19-10-14(12-25)2-8-18(19)23(29-28-22)27-16-4-6-17(30)7-5-16;/h2-3,8-11,16-17,30H,4-7,13H2,1H3,(H,26,28)(H,27,29);1H