4-[[4-(pyridin-4-ylmethyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(pyridin-4-ylmethyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(4-pyridylmethyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(pyridin-4-ylmethyl)-2,3-dihydrophthalazin-1-yl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(pyridin-4-ylmethyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(4-pyridylmethyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Formula: C20H16N4O MolecularWeight: 328.36724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NNC(=C2C=C1)N=C3C=CC(=O)C=C3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC2=C(NNC(=C2C=C1)N=C3C=CC(=O)C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C20H16N4O/c25-16-7-5-15(6-8-16)22-20-18-4-2-1-3-17(18)19(23-24-20)13-14-9-11-21-12-10-14/h1-12,23-24H,13H2