N-[3-(4-methylpiperidin-1-yl)propyl]-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-[3-(4-methylpiperidin-1-yl)propyl]-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-[3-(4-methyl-1-piperidyl)propyl]-2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-[3-(4-methyl-1-piperidinyl)propyl]-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-[3-(4-methylpiperidin-1-yl)propyl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: 2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]-N-[3-(4-methylpiperidino)propyl]acetamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

Isomeric SMILES

CC1CCN(CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

InChI

InChI=1S/C25H31N5O2/c1-19-9-15-29(16-10-19)14-4-11-27-24(31)18-30-25(32)22-6-3-2-5-21(22)23(28-30)17-20-7-12-26-13-8-20/h2-3,5-8,12-13,19H,4,9-11,14-18H2,1H3,(H,27,31)