ethyl 1-[2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]acetyl]nipecotic acid ethyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

InChI

InChI=1S/C24H26N4O4/c1-2-32-24(31)18-6-5-13-27(15-18)22(29)16-28-23(30)20-8-4-3-7-19(20)21(26-28)14-17-9-11-25-12-10-17/h3-4,7-12,18H,2,5-6,13-16H2,1H3