(3R,6S)-3-butyl-6-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]cycloheptan-1-one

Systemtic Name: (3R,6S)-3-butyl-6-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]cycloheptan-1-one Openeye Name: (3S,6R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-6-butyl-cycloheptanone CAS Name: (3R,6S)-3-butyl-6-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-1-cycloheptanone IUPAC Name: (3S,6R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-6-butylcycloheptan-1-one Traditional Name: (3S,6R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-6-butyl-cycloheptanone Formula: C26H35NO MolecularWeight: 377.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC(=O)C1)N(CC2=CC=CC=C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@@H]1CC[C@@H](CC(=O)C1)N(CC2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C26H35NO/c1-3-4-11-22-16-17-25(19-26(28)18-22)27(20-23-12-7-5-8-13-23)21(2)24-14-9-6-10-15-24/h5-10,12-15,21-22,25H,3-4,11,16-20H2,1-2H3/t21-,22+,25-/m0/s1