2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(hydroxymethyl)-5-pyrrol-1-yl-3H-phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(hydroxymethyl)-5-pyrrol-1-yl-3H-phthalazine-6-carbonitrile hydrochloride Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(hydroxymethyl)-5-pyrrol-1-yl-3H-phthalazine-6-carbonitrile hydrochloride CAS Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-(hydroxymethyl)-5-(1-pyrrolyl)-3H-phthalazine-6-carbonitrile hydrochloride IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-(hydroxymethyl)-5-pyrrol-1-yl-3H-phthalazine-6-carbonitrile hydrochloride Traditional Name: 2-[(3-chloro-4-methoxy-benzyl)amino]-1-methylol-5-pyrrol-1-yl-3H-phthalazine-6-carbonitrile hydrochloride Formula: C22H21Cl2N5O2 MolecularWeight: 458.34044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNN2C(=C3C=CC(=C(C3=CN2)N4C=CC=C4)C#N)CO)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNN2C(=C3C=CC(=C(C3=CN2)N4C=CC=C4)C#N)CO)Cl.Cl

InChI

InChI=1S/C22H20ClN5O2.ClH/c1-30-21-7-4-15(10-19(21)23)12-25-28-20(14-29)17-6-5-16(11-24)22(18(17)13-26-28)27-8-2-3-9-27;/h2-10,13,25-26,29H,12,14H2,1H3;1H