[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-phenyl-4-cinnolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone Traditional Name: (3-phenylcinnolin-4-yl)-(4-piperonylpiperazino)methanone Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H24N4O3/c32-27(25-21-8-4-5-9-22(21)28-29-26(25)20-6-2-1-3-7-20)31-14-12-30(13-15-31)17-19-10-11-23-24(16-19)34-18-33-23/h1-11,16H,12-15,17-18H2