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

Systemtic Name: 4-[(S)-[3-(cyclohexylamino)phenyl]-piperazin-1-yl-methyl]-N,N-diethyl-benzamide Openeye Name: 4-[(S)-[3-(cyclohexylamino)phenyl]-piperazin-1-yl-methyl]-N,N-diethyl-benzamide CAS Name: 4-[(S)-[3-(cyclohexylamino)phenyl]-(1-piperazinyl)methyl]-N,N-diethylbenzamide IUPAC Name: 4-[(S)-[3-(cyclohexylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[(S)-[3-(cyclohexylamino)phenyl]-piperazino-methyl]-N,N-diethyl-benzamide Formula: C28H40N4O MolecularWeight: 448.6434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3CCCCC3)N4CCNCC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)NC3CCCCC3)N4CCNCC4

InChI

InChI=1S/C28H40N4O/c1-3-31(4-2)28(33)23-15-13-22(14-16-23)27(32-19-17-29-18-20-32)24-9-8-12-26(21-24)30-25-10-6-5-7-11-25/h8-9,12-16,21,25,27,29-30H,3-7,10-11,17-20H2,1-2H3/t27-/m0/s1