4-[[2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]ethylamino]methyl]-4-ethyl-hexanenitrile

Systemtic Name: 4-[[2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]ethylamino]methyl]-4-ethyl-hexanenitrile Openeye Name: 4-[[2-[4-(4-chlorobenzoyl)-1-piperidyl]ethylamino]methyl]-4-ethyl-hexanenitrile CAS Name: 4-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]ethylamino]methyl]-4-ethylhexanenitrile IUPAC Name: 4-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethylamino]methyl]-4-ethylhexanenitrile Traditional Name: 4-[[2-[4-(4-chlorobenzoyl)piperidino]ethylamino]methyl]-4-ethyl-hexanenitrile Formula: C23H34ClN3O MolecularWeight: 403.98856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCC#N)CNCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CC)(CCC#N)CNCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H34ClN3O/c1-3-23(4-2,12-5-13-25)18-26-14-17-27-15-10-20(11-16-27)22(28)19-6-8-21(24)9-7-19/h6-9,20,26H,3-5,10-12,14-18H2,1-2H3