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

Systemtic Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(3-pyridylmethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-N-(3-pyridinylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(3,4-dichlorophenyl)piperazino]-N-(3-pyridylmethyl)phthalazine-1-carboxamide Formula: C25H22Cl2N6O MolecularWeight: 493.38778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C25H22Cl2N6O/c26-21-8-7-18(14-22(21)27)32-10-12-33(13-11-32)24-20-6-2-1-5-19(20)23(30-31-24)25(34)29-16-17-4-3-9-28-15-17/h1-9,14-15H,10-13,16H2,(H,29,34)