N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-[4-(m-tolyl)piperazino]butyl]-3H-phthalazine-1-carboxamide Formula: C24H29N5O2 MolecularWeight: 419.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H29N5O2/c1-18-7-6-8-19(17-18)29-15-13-28(14-16-29)12-5-4-11-25-24(31)22-20-9-2-3-10-21(20)23(30)27-26-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,25,31)(H,27,30)