(3R,4S)-4-(aminomethyl)-2-cyclohexyl-3-phenyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: (3R,4S)-4-(aminomethyl)-2-cyclohexyl-3-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: (3R,4S)-4-(aminomethyl)-2-cyclohexyl-3-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: (3R,4S)-4-(aminomethyl)-2-cyclohexyl-3-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: (3R,4S)-4-(aminomethyl)-2-cyclohexyl-3-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: (3R,4S)-4-(aminomethyl)-2-cyclohexyl-3-phenyl-3,4-dihydroisocarbostyril Formula: C22H26N2O MolecularWeight: 334.45464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C(C3=CC=CC=C3C2=O)CN)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2[C@H]([C@@H](C3=CC=CC=C3C2=O)CN)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O/c23-15-20-18-13-7-8-14-19(18)22(25)24(17-11-5-2-6-12-17)21(20)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17,20-21H,2,5-6,11-12,15,23H2/t20-,21+/m1/s1