4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[methyl(pyridin-2-ylmethyl)amino]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[methyl(pyridin-2-ylmethyl)amino]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[methyl(2-pyridylmethyl)amino]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[methyl(2-pyridinylmethyl)amino]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[methyl(pyridin-2-ylmethyl)amino]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[methyl(2-pyridylmethyl)amino]phthalazine-6-carbonitrile Formula: C24H21ClN6O MolecularWeight: 444.91614

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN(CC1=CC=CC=N1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C24H21ClN6O/c1-31(15-18-5-3-4-10-27-18)24-19-8-6-16(13-26)11-20(19)23(29-30-24)28-14-17-7-9-22(32-2)21(25)12-17/h3-12H,14-15H2,1-2H3,(H,28,29)