4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-isopentyl-phthalazine-1-carboxamide CAS Name: 4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-N-(3-methylbutyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(3,4-dichlorophenyl)piperazino]-N-isoamyl-phthalazine-1-carboxamide Formula: C24H27Cl2N5O MolecularWeight: 472.41008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H27Cl2N5O/c1-16(2)9-10-27-24(32)22-18-5-3-4-6-19(18)23(29-28-22)31-13-11-30(12-14-31)17-7-8-20(25)21(26)15-17/h3-8,15-16H,9-14H2,1-2H3,(H,27,32)