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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-(2-ethylphenyl)pyrrole-3-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrole-3-carbonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-(2-ethylphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrole-3-carbonitrile Traditional Name: 1-(2-ethylphenyl)-2-(4-piperonylpiperazine-1-carbonyl)pyrrole-3-carbonitrile Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=CC(=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CCC1=CC=CC=C1N2C=CC(=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C26H26N4O3/c1-2-20-5-3-4-6-22(20)30-10-9-21(16-27)25(30)26(31)29-13-11-28(12-14-29)17-19-7-8-23-24(15-19)33-18-32-23/h3-10,15H,2,11-14,17-18H2,1H3