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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(3-oxidanylpropylamino)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(3-hydroxypropylamino)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(3-hydroxypropylamino)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(3-hydroxypropylamino)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(3-hydroxypropylamino)phthalazine-6-carbonitrile Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)NCCCO)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)NCCCO)C#N)Cl

InChI

InChI=1S/C20H20ClN5O2/c1-28-19-4-3-13(8-17(19)21)11-24-20-15-7-14(10-22)9-18(23-5-2-6-27)16(15)12-25-26-20/h3-4,7-9,12,23,27H,2,5-6,11H2,1H3,(H,24,26)