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

Systemtic Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-N-(1-phenylethyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(3,4-dichlorophenyl)piperazino]-N-(1-phenylethyl)phthalazine-1-carboxamide Formula: C27H25Cl2N5O MolecularWeight: 506.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H25Cl2N5O/c1-18(19-7-3-2-4-8-19)30-27(35)25-21-9-5-6-10-22(21)26(32-31-25)34-15-13-33(14-16-34)20-11-12-23(28)24(29)17-20/h2-12,17-18H,13-16H2,1H3,(H,30,35)