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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCCN(C1)C(=O)C(CC(C)C)N)C2=CC=C(C=C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(C1CCCN(C1)C(=O)C(CC(C)C)N)C2=CC=C(C=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C30H45N3O/c1-23(2)18-20-33(28-11-8-19-32(22-28)30(34)29(31)21-24(3)4)27-16-14-26(15-17-27)13-12-25-9-6-5-7-10-25/h5-7,9-10,14-17,23-24,28-29H,8,11-13,18-22,31H2,1-4H3