N-butan-2-yl-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-butan-2-yl-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-sec-butyl-phthalazine-1-carboxamide CAS Name: N-butan-2-yl-4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-butan-2-yl-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: 4-[4-(3,4-dichlorophenyl)piperazino]-N-sec-butyl-phthalazine-1-carboxamide Formula: C23H25Cl2N5O MolecularWeight: 458.3835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25Cl2N5O/c1-3-15(2)26-23(31)21-17-6-4-5-7-18(17)22(28-27-21)30-12-10-29(11-13-30)16-8-9-19(24)20(25)14-16/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,31)