2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[4-(m-tolylmethyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(3-methylbenzyl)piperazino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)C3=C(N(C(=C3)C)C)C

InChI

InChI=1S/C21H29N3O/c1-16-6-5-7-19(12-16)14-23-8-10-24(11-9-23)15-21(25)20-13-17(2)22(4)18(20)3/h5-7,12-13H,8-11,14-15H2,1-4H3