4-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenethyl-phthalazine-1-carboxamide

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenethyl-phthalazine-1-carboxamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenethyl-phthalazine-1-carboxamide CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-N-phenethyl-1-phthalazinecarboxamide IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenethylphthalazine-1-carboxamide Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-N-phenethyl-phthalazine-1-carboxamide Formula: C27H26ClN5O MolecularWeight: 471.98124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NN=C(C4=CC=CC=C43)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NN=C(C4=CC=CC=C43)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H26ClN5O/c28-21-9-6-10-22(19-21)32-15-17-33(18-16-32)26-24-12-5-4-11-23(24)25(30-31-26)27(34)29-14-13-20-7-2-1-3-8-20/h1-12,19H,13-18H2,(H,29,34)