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

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]-N-[3-(4-propyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]-N-[3-(4-propylpiperazino)propyl]acetamide Formula: C26H34N6O2 MolecularWeight: 462.58716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

Isomeric SMILES

CCCN1CCN(CC1)CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

InChI

InChI=1S/C26H34N6O2/c1-2-13-30-15-17-31(18-16-30)14-5-10-28-25(33)20-32-26(34)23-7-4-3-6-22(23)24(29-32)19-21-8-11-27-12-9-21/h3-4,6-9,11-12H,2,5,10,13-20H2,1H3,(H,28,33)