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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-methyl-4-(4-methylpiperazino)phenyl]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=C(C=C(C=C3)N4CCN(CC4)C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N4CCN(CC4)C)C

InChI

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