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

Systemtic Name: 4-[(S)-[3-(cyclooctylamino)phenyl]-piperazin-1-yl-methyl]-N,N-diethyl-benzamide Openeye Name: 4-[(S)-[3-(cyclooctylamino)phenyl]-piperazin-1-yl-methyl]-N,N-diethyl-benzamide CAS Name: 4-[(S)-[3-(cyclooctylamino)phenyl]-(1-piperazinyl)methyl]-N,N-diethylbenzamide IUPAC Name: 4-[(S)-[3-(cyclooctylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[(S)-[3-(cyclooctylamino)phenyl]-piperazino-methyl]-N,N-diethyl-benzamide Formula: C30H44N4O MolecularWeight: 476.69656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3CCCCCCC3)N4CCNCC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)NC3CCCCCCC3)N4CCNCC4

InChI

InChI=1S/C30H44N4O/c1-3-33(4-2)30(35)25-17-15-24(16-18-25)29(34-21-19-31-20-22-34)26-11-10-14-28(23-26)32-27-12-8-6-5-7-9-13-27/h10-11,14-18,23,27,29,31-32H,3-9,12-13,19-22H2,1-2H3/t29-/m0/s1