tert-butyl 7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate

Systemtic Name: tert-butyl 7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Openeye Name: tert-butyl 7-[3-(1-piperidyl)propoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate CAS Name: 7-[3-(1-piperidinyl)propoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Traditional Name: 7-(3-piperidinopropoxy)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester Formula: C23H36N2O3 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC2=C(C1)C=CC(=C2)OCCCN3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC2=C(C1)C=CC(=C2)OCCCN3CCCCC3

InChI

InChI=1S/C23H36N2O3/c1-23(2,3)28-22(26)25-15-7-9-19-17-21(11-10-20(19)18-25)27-16-8-14-24-12-5-4-6-13-24/h10-11,17H,4-9,12-16,18H2,1-3H3