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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-oxidanylpropylamino)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3-hydroxypropylamino)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxypropylamino)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxypropylamino)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(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=NN=C(C3=C2C=C(C=C3)C#N)NCCCO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)NCCCO)Cl

InChI

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