3-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide

Systemtic Name: 3-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide Openeye Name: 3-[(4-allyl-2,5-dimethyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide CAS Name: 3-[(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)-phenylmethyl]-N,N-diethylbenzamide IUPAC Name: 3-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide Traditional Name: 3-[(4-allyl-2,5-dimethyl-piperazino)-phenyl-methyl]-N,N-diethyl-benzamide Formula: C27H37N3O MolecularWeight: 419.60218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)C(C2=CC=CC=C2)N3CC(N(CC3C)CC=C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)C(C2=CC=CC=C2)N3CC(N(CC3C)CC=C)C

InChI

InChI=1S/C27H37N3O/c1-6-17-29-19-22(5)30(20-21(29)4)26(23-13-10-9-11-14-23)24-15-12-16-25(18-24)27(31)28(7-2)8-3/h6,9-16,18,21-22,26H,1,7-8,17,19-20H2,2-5H3