[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-ethylquinolin-4-yl)methanone

Systemtic Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-ethylquinolin-4-yl)methanone Openeye Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]-1-piperidyl]-(3-ethyl-4-quinolyl)methanone CAS Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]-1-piperidinyl]-(3-ethyl-4-quinolinyl)methanone IUPAC Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-ethylquinolin-4-yl)methanone Traditional Name: [4-[(3S,4S)-4-(3,4-dichlorobenzyl)-3-methylol-piperidino]piperidino]-(3-ethyl-4-quinolyl)methanone Formula: C30H35Cl2N3O2 MolecularWeight: 540.5238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N=C1)C(=O)N3CCC(CC3)N4CCC(C(C4)CO)CC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N=C1)C(=O)N3CCC(CC3)N4CC[C@@H]([C@@H](C4)CO)CC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C30H35Cl2N3O2/c1-2-21-17-33-28-6-4-3-5-25(28)29(21)30(37)34-13-10-24(11-14-34)35-12-9-22(23(18-35)19-36)15-20-7-8-26(31)27(32)16-20/h3-8,16-17,22-24,36H,2,9-15,18-19H2,1H3/t22-,23+/m1/s1