tert-butyl 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[[4-[3-(1-piperidyl)propoxy]phenyl]methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-(3-piperidinopropoxy)benzyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C25H41N3O3 MolecularWeight: 431.61134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)OCCCN3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)OCCCN3CCCCC3

InChI

InChI=1S/C25H41N3O3/c1-25(2,3)31-24(29)28-17-7-15-27(18-19-28)21-22-9-11-23(12-10-22)30-20-8-16-26-13-5-4-6-14-26/h9-12H,4-8,13-21H2,1-3H3