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

Systemtic Name: ethyl 1-[2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[1-keto-4-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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