4-[(S)-[3-(2-cyclohexylethanoylamino)phenyl]-piperazin-1-yl-methyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[(S)-[3-(2-cyclohexylethanoylamino)phenyl]-piperazin-1-yl-methyl]-N,N-diethyl-benzamide Openeye Name: 4-[(S)-[3-[(2-cyclohexylacetyl)amino]phenyl]-piperazin-1-yl-methyl]-N,N-diethyl-benzamide CAS Name: 4-[(S)-[3-[(2-cyclohexyl-1-oxoethyl)amino]phenyl]-(1-piperazinyl)methyl]-N,N-diethylbenzamide IUPAC Name: 4-[(S)-[3-[(2-cyclohexylacetyl)amino]phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[(S)-[3-[(2-cyclohexylacetyl)amino]phenyl]-piperazino-methyl]-N,N-diethyl-benzamide Formula: C30H42N4O2 MolecularWeight: 490.68008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=O)CC3CCCCC3)N4CCNCC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)NC(=O)CC3CCCCC3)N4CCNCC4

InChI

InChI=1S/C30H42N4O2/c1-3-33(4-2)30(36)25-15-13-24(14-16-25)29(34-19-17-31-18-20-34)26-11-8-12-27(22-26)32-28(35)21-23-9-6-5-7-10-23/h8,11-16,22-23,29,31H,3-7,9-10,17-21H2,1-2H3,(H,32,35)/t29-/m0/s1