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

Systemtic Name: 3-hexyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-hexyl-N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-[3-methyl-4-(4-methylpiperazino)phenyl]phthalazine-1-carboxamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C)C

InChI

InChI=1S/C27H35N5O2/c1-4-5-6-9-14-32-27(34)23-11-8-7-10-22(23)25(29-32)26(33)28-21-12-13-24(20(2)19-21)31-17-15-30(3)16-18-31/h7-8,10-13,19H,4-6,9,14-18H2,1-3H3,(H,28,33)