N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(4-ethylpiperazino)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3N4CCN(CC4)CC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3N4CCN(CC4)CC

InChI

InChI=1S/C26H33N5O2/c1-3-5-10-15-31-26(33)21-12-7-6-11-20(21)24(28-31)25(32)27-22-13-8-9-14-23(22)30-18-16-29(4-2)17-19-30/h6-9,11-14H,3-5,10,15-19H2,1-2H3,(H,27,32)