4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-[(4-oxidanylcyclohexyl)amino]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-[(4-oxidanylcyclohexyl)amino]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-[(4-hydroxycyclohexyl)amino]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[(4-hydroxycyclohexyl)amino]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-[(4-hydroxycyclohexyl)amino]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-[(4-hydroxycyclohexyl)amino]phthalazine-6-carbonitrile Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)NC4CCC(CC4)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)NC4CCC(CC4)O)C#N)Cl

InChI

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