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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(phenylmethyl)piperidin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-benzyl-1-piperidyl)phthalazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(phenylmethyl)-1-piperidinyl]-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-benzylpiperidin-1-yl)phthalazine-1-carboxamide Traditional Name: 4-(4-benzylpiperidino)-N-piperonyl-phthalazine-1-carboxamide Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H28N4O3/c34-29(30-18-22-10-11-25-26(17-22)36-19-35-25)27-23-8-4-5-9-24(23)28(32-31-27)33-14-12-21(13-15-33)16-20-6-2-1-3-7-20/h1-11,17,21H,12-16,18-19H2,(H,30,34)