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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-oxidanylpropylamino)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3-hydroxypropylamino)phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxypropylamino)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxypropylamino)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-hydroxypropylamino)phthalazine-6-carbonitrile hydrochloride Formula: C20H21Cl2N5O2 MolecularWeight: 434.31904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O2.ClH/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);1H