4-[[2-[(4-methyl-1,4-diazepan-1-yl)carbonyl]pyridin-4-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[2-[(4-methyl-1,4-diazepan-1-yl)carbonyl]pyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-(4-methyl-1,4-diazepane-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-(4-methyl-1,4-diazepane-1-carbonyl)pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-(4-methyl-1,4-diazepane-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N5O2/c1-25-9-4-10-26(12-11-25)21(28)19-14-15(7-8-22-19)13-18-16-5-2-3-6-17(16)20(27)24-23-18/h2-3,5-8,14H,4,9-13H2,1H3,(H,24,27)