tert-butyl 2-methanoyl-4-[2-(phenylmethyl)-1,3,4,5-tetrahydro-2-benzazepin-8-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-methanoyl-4-[2-(phenylmethyl)-1,3,4,5-tetrahydro-2-benzazepin-8-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(2-benzyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)-2-formyl-piperidine-1-carboxylate CAS Name: 2-formyl-4-[2-(phenylmethyl)-1,3,4,5-tetrahydro-2-benzazepin-8-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-benzyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)-2-formylpiperidine-1-carboxylate Traditional Name: 4-(2-benzyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)-2-formyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1C=O)C2=CC3=C(CCCN(C3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1C=O)C2=CC3=C(CCCN(C3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H36N2O3/c1-28(2,3)33-27(32)30-15-13-24(17-26(30)20-31)23-12-11-22-10-7-14-29(19-25(22)16-23)18-21-8-5-4-6-9-21/h4-6,8-9,11-12,16,20,24,26H,7,10,13-15,17-19H2,1-3H3