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

Systemtic Name: 4-[(S)-[3-(cycloheptylamino)phenyl]-piperazin-1-yl-methyl]-N,N-diethyl-benzamide Openeye Name: 4-[(S)-[3-(cycloheptylamino)phenyl]-piperazin-1-yl-methyl]-N,N-diethyl-benzamide CAS Name: 4-[(S)-[3-(cycloheptylamino)phenyl]-(1-piperazinyl)methyl]-N,N-diethylbenzamide IUPAC Name: 4-[(S)-[3-(cycloheptylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[(S)-[3-(cycloheptylamino)phenyl]-piperazino-methyl]-N,N-diethyl-benzamide Formula: C29H42N4O MolecularWeight: 462.66998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3CCCCCC3)N4CCNCC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)NC3CCCCCC3)N4CCNCC4

InChI

InChI=1S/C29H42N4O/c1-3-32(4-2)29(34)24-16-14-23(15-17-24)28(33-20-18-30-19-21-33)25-10-9-13-27(22-25)31-26-11-7-5-6-8-12-26/h9-10,13-17,22,26,28,30-31H,3-8,11-12,18-21H2,1-2H3/t28-/m0/s1