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

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]-N-[3-(4-phenyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]-N-[3-(4-phenylpiperazino)propyl]acetamide Formula: C29H32N6O2 MolecularWeight: 496.60338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N6O2/c36-28(31-13-6-16-33-17-19-34(20-18-33)24-7-2-1-3-8-24)22-35-29(37)26-10-5-4-9-25(26)27(32-35)21-23-11-14-30-15-12-23/h1-5,7-12,14-15H,6,13,16-22H2,(H,31,36)