2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-(4-methylphenyl)pyrrole-3-carbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-(4-methylphenyl)pyrrole-3-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(p-tolyl)pyrrole-3-carbonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-(4-methylphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-piperonylpiperazine-1-carbonyl)-1-(p-tolyl)pyrrole-3-carbonitrile Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C25H24N4O3/c1-18-2-5-21(6-3-18)29-9-8-20(15-26)24(29)25(30)28-12-10-27(11-13-28)16-19-4-7-22-23(14-19)32-17-31-22/h2-9,14H,10-13,16-17H2,1H3