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

Systemtic Name: 3-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-(3-methoxyphenyl)methyl]-N,N-diethyl-benzamide Openeye Name: 3-[(4-allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxyphenyl)methyl]-N,N-diethyl-benzamide CAS Name: 3-[(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide IUPAC Name: 3-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide Traditional Name: 3-[(4-allyl-2,5-dimethyl-piperazino)-(3-methoxyphenyl)methyl]-N,N-diethyl-benzamide Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-7-16-30-19-22(5)31(20-21(30)4)27(24-13-11-15-26(18-24)33-6)23-12-10-14-25(17-23)28(32)29(8-2)9-3/h7,10-15,17-18,21-22,27H,1,8-9,16,19-20H2,2-6H3