N-[4-[(3,4-dichlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]ethanamide

Systemtic Name: N-[4-[(3,4-dichlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]ethanamide Openeye Name: N-[4-(3,4-dichloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]acetamide CAS Name: N-[4-(3,4-dichloroanilino)-1-(pyridin-4-ylmethyl)-6-phthalazinyl]acetamide IUPAC Name: N-[4-(3,4-dichloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide Traditional Name: N-[4-(3,4-dichloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]acetamide Formula: C22H17Cl2N5O MolecularWeight: 438.30928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=NN=C2NC3=CC(=C(C=C3)Cl)Cl)CC4=CC=NC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=NN=C2NC3=CC(=C(C=C3)Cl)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C22H17Cl2N5O/c1-13(30)26-15-2-4-17-18(11-15)22(27-16-3-5-19(23)20(24)12-16)29-28-21(17)10-14-6-8-25-9-7-14/h2-9,11-12H,10H2,1H3,(H,26,30)(H,27,29)