2-[[4-[(4-chlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]amino]ethanol

Systemtic Name: 2-[[4-[(4-chlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]amino]ethanol Openeye Name: 2-[[4-(4-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]amino]ethanol CAS Name: 2-[[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)-6-phthalazinyl]amino]ethanol IUPAC Name: 2-[[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]amino]ethanol Traditional Name: 2-[[4-(4-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]amino]ethanol Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5O/c23-16-1-3-17(4-2-16)26-22-20-14-18(25-11-12-29)5-6-19(20)21(27-28-22)13-15-7-9-24-10-8-15/h1-10,14,25,29H,11-13H2,(H,26,28)