tert-butyl 4-[2-[[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]sulfanyl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]sulfanyl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)sulfanyl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]thio]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)sulfanyl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)thio]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H40N2O2S MolecularWeight: 480.7051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCSC2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCSC2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C29H40N2O2S/c1-29(2,3)33-28(32)31-18-11-23(12-19-31)15-20-34-27-10-9-25-13-16-30(17-14-26(25)21-27)22-24-7-5-4-6-8-24/h4-10,21,23H,11-20,22H2,1-3H3