2-azanyl-4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenethylphenyl)amino]piperidin-1-yl]hexan-1-one

Systemtic Name: 2-azanyl-4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenethylphenyl)amino]piperidin-1-yl]hexan-1-one Openeye Name: 2-amino-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethyl-anilino]-1-piperidyl]hexan-1-one CAS Name: 2-amino-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethylanilino]-1-piperidinyl]-1-hexanone IUPAC Name: 2-amino-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethylanilino]piperidin-1-yl]hexan-1-one Traditional Name: 2-amino-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenethyl-anilino]piperidino]hexan-1-one Formula: C31H45N3O MolecularWeight: 475.7085

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)CCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)CCC3=CC=CC=C3)N

InChI

InChI=1S/C31H45N3O/c1-5-25(4)23-30(32)31(35)33-20-18-29(19-21-33)34(22-17-24(2)3)28-15-13-27(14-16-28)12-11-26-9-7-6-8-10-26/h6-10,13-17,25,29-30H,5,11-12,18-23,32H2,1-4H3