3-[[4-(diethylcarbamoyl)phenyl]-[4-(phenylmethyl)piperazin-1-yl]methyl]-N-methyl-benzamide

Systemtic Name: 3-[[4-(diethylcarbamoyl)phenyl]-[4-(phenylmethyl)piperazin-1-yl]methyl]-N-methyl-benzamide Openeye Name: 3-[(4-benzylpiperazin-1-yl)-[4-(diethylcarbamoyl)phenyl]methyl]-N-methyl-benzamide CAS Name: 3-[[4-[diethylamino(oxo)methyl]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methyl]-N-methylbenzamide IUPAC Name: 3-[(4-benzylpiperazin-1-yl)-[4-(diethylcarbamoyl)phenyl]methyl]-N-methylbenzamide Traditional Name: 3-[(4-benzylpiperazino)-[4-(diethylcarbamoyl)phenyl]methyl]-N-methyl-benzamide Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC(=C2)C(=O)NC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC(=C2)C(=O)NC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O2/c1-4-34(5-2)31(37)26-16-14-25(15-17-26)29(27-12-9-13-28(22-27)30(36)32-3)35-20-18-33(19-21-35)23-24-10-7-6-8-11-24/h6-17,22,29H,4-5,18-21,23H2,1-3H3,(H,32,36)