(2S)-1-cyclohexa-1,4-dien-1-yl-N-methyl-N-[(S)-(4-methylpyrimidin-2-yl)-phenyl-methyl]propan-2-amine

Systemtic Name: (2S)-1-cyclohexa-1,4-dien-1-yl-N-methyl-N-[(S)-(4-methylpyrimidin-2-yl)-phenyl-methyl]propan-2-amine Openeye Name: (2S)-1-cyclohexa-1,4-dien-1-yl-N-methyl-N-[(S)-(4-methylpyrimidin-2-yl)-phenyl-methyl]propan-2-amine CAS Name: (2S)-1-(1-cyclohexa-1,4-dienyl)-N-methyl-N-[(S)-(4-methyl-2-pyrimidinyl)-phenylmethyl]-2-propanamine IUPAC Name: (2S)-1-cyclohexa-1,4-dien-1-yl-N-methyl-N-[(S)-(4-methylpyrimidin-2-yl)-phenylmethyl]propan-2-amine Traditional Name: [(1S)-2-cyclohexa-1,4-dien-1-yl-1-methyl-ethyl]-methyl-[(S)-(4-methylpyrimidin-2-yl)-phenyl-methyl]amine Formula: C22H27N3 MolecularWeight: 333.46988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)C(C2=CC=CC=C2)N(C)C(C)CC3=CCC=CC3

Isomeric SMILES

CC1=NC(=NC=C1)[C@H](C2=CC=CC=C2)N(C)[C@@H](C)CC3=CCC=CC3

InChI

InChI=1S/C22H27N3/c1-17-14-15-23-22(24-17)21(20-12-8-5-9-13-20)25(3)18(2)16-19-10-6-4-7-11-19/h4-6,8-9,11-15,18,21H,7,10,16H2,1-3H3/t18-,21-/m0/s1