N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: 4-[4-(3,4-dichlorophenyl)piperazino]-N-piperonyl-phthalazine-1-carboxamide Formula: C27H23Cl2N5O3 MolecularWeight: 536.40922

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23Cl2N5O3/c28-21-7-6-18(14-22(21)29)33-9-11-34(12-10-33)26-20-4-2-1-3-19(20)25(31-32-26)27(35)30-15-17-5-8-23-24(13-17)37-16-36-23/h1-8,13-14H,9-12,15-16H2,(H,30,35)