N1-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine hydrochloride

Systemtic Name: N1-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine hydrochloride Openeye Name: N1-(4-chlorophenyl)-4-(4-pyridylmethyl)phthalazine-1,7-diamine hydrochloride CAS Name: N1-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine hydrochloride IUPAC Name: 1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine hydrochloride Traditional Name: [7-amino-4-(4-pyridylmethyl)phthalazin-1-yl]-(4-chlorophenyl)amine hydrochloride Formula: C20H17Cl2N5 MolecularWeight: 398.28848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NN=C(C3=C2C=C(C=C3)N)CC4=CC=NC=C4)Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NN=C(C3=C2C=C(C=C3)N)CC4=CC=NC=C4)Cl.Cl

InChI

InChI=1S/C20H16ClN5.ClH/c21-14-1-4-16(5-2-14)24-20-18-12-15(22)3-6-17(18)19(25-26-20)11-13-7-9-23-10-8-13;/h1-10,12H,11,22H2,(H,24,26);1H