4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[2-(hydroxymethyl)phenyl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[2-(hydroxymethyl)phenyl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[2-(hydroxymethyl)phenyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[2-(hydroxymethyl)phenyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[2-(hydroxymethyl)phenyl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(2-methylolphenyl)phthalazine-6-carbonitrile Formula: C24H19ClN4O2 MolecularWeight: 430.88626

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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)C4=CC=CC=C4CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=CC=C4CO)Cl

InChI

InChI=1S/C24H19ClN4O2/c1-31-22-9-7-16(11-21(22)25)13-27-24-20-10-15(12-26)6-8-19(20)23(28-29-24)18-5-3-2-4-17(18)14-30/h2-11,30H,13-14H2,1H3,(H,27,29)