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

Systemtic Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide Openeye Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide CAS Name: 4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-N-prop-2-ynyl-1-phthalazinecarboxamide IUPAC Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-prop-2-ynylphthalazine-1-carboxamide Traditional Name: 4-[4-(3,4-dichlorophenyl)piperazino]-N-propargyl-phthalazine-1-carboxamide Formula: C22H19Cl2N5O MolecularWeight: 440.32516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2N5O/c1-2-9-25-22(30)20-16-5-3-4-6-17(16)21(27-26-20)29-12-10-28(11-13-29)15-7-8-18(23)19(24)14-15/h1,3-8,14H,9-13H2,(H,25,30)