2-azanyl-3-methyl-1-[4-[3-methylbutyl-(4-phenethylphenyl)amino]piperidin-1-yl]pentan-1-one

Systemtic Name: 2-azanyl-3-methyl-1-[4-[3-methylbutyl-(4-phenethylphenyl)amino]piperidin-1-yl]pentan-1-one Openeye Name: 2-amino-1-[4-(N-isopentyl-4-phenethyl-anilino)-1-piperidyl]-3-methyl-pentan-1-one CAS Name: 2-amino-3-methyl-1-[4-[N-(3-methylbutyl)-4-phenethylanilino]-1-piperidinyl]-1-pentanone IUPAC Name: 2-amino-3-methyl-1-[4-[N-(3-methylbutyl)-4-phenethylanilino]piperidin-1-yl]pentan-1-one Traditional Name: 2-amino-1-[4-(N-isoamyl-4-phenethyl-anilino)piperidino]-3-methyl-pentan-1-one Formula: C30H45N3O MolecularWeight: 463.6978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45N3O/c1-5-24(4)29(31)30(34)32-20-18-28(19-21-32)33(22-17-23(2)3)27-15-13-26(14-16-27)12-11-25-9-7-6-8-10-25/h6-10,13-16,23-24,28-29H,5,11-12,17-22,31H2,1-4H3