[(2S,3R,4S)-4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-3-oxidanyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [(2S,3R,4S)-4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-3-oxidanyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone Openeye Name: [(2S,3R,4S)-4-[[4-(diethylamino)-1-methyl-butyl]amino]-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(p-tolyl)methanone CAS Name: [(2S,3R,4S)-4-[5-(diethylamino)pentan-2-ylamino]-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone IUPAC Name: [(2S,3R,4S)-4-[5-(diethylamino)pentan-2-ylamino]-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone Traditional Name: [(2S,3R,4S)-4-[[4-(diethylamino)-1-methyl-butyl]amino]-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(p-tolyl)methanone Formula: C27H39N3O2 MolecularWeight: 437.61746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1C(C(N(C2=CC=CC=C12)C(=O)C3=CC=C(C=C3)C)C)O

Isomeric SMILES

CCN(CC)CCCC(C)N[C@@H]1[C@H]([C@@H](N(C2=CC=CC=C12)C(=O)C3=CC=C(C=C3)C)C)O

InChI

InChI=1S/C27H39N3O2/c1-6-29(7-2)18-10-11-20(4)28-25-23-12-8-9-13-24(23)30(21(5)26(25)31)27(32)22-16-14-19(3)15-17-22/h8-9,12-17,20-21,25-26,28,31H,6-7,10-11,18H2,1-5H3/t20?,21-,25-,26-/m0/s1