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

Systemtic Name: 2-azanyl-4-methyl-1-[3-[3-methylbutyl-(4-phenethylphenyl)amino]pyrrolidin-1-yl]pentan-1-one Openeye Name: 2-amino-1-[3-(N-isopentyl-4-phenethyl-anilino)pyrrolidin-1-yl]-4-methyl-pentan-1-one CAS Name: 2-amino-4-methyl-1-[3-[N-(3-methylbutyl)-4-phenethylanilino]-1-pyrrolidinyl]-1-pentanone IUPAC Name: 2-amino-4-methyl-1-[3-[N-(3-methylbutyl)-4-phenethylanilino]pyrrolidin-1-yl]pentan-1-one Traditional Name: 2-amino-1-[3-(N-isoamyl-4-phenethyl-anilino)pyrrolidino]-4-methyl-pentan-1-one Formula: C29H43N3O MolecularWeight: 449.67122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(C1)C(=O)C(CC(C)C)N)C2=CC=C(C=C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(C1CCN(C1)C(=O)C(CC(C)C)N)C2=CC=C(C=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C29H43N3O/c1-22(2)16-19-32(27-17-18-31(21-27)29(33)28(30)20-23(3)4)26-14-12-25(13-15-26)11-10-24-8-6-5-7-9-24/h5-9,12-15,22-23,27-28H,10-11,16-21,30H2,1-4H3