tert-butyl 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-(4-p-anisyl-1,4-diazepane-1-carbonyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C24H37N3O4 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H37N3O4/c1-24(2,3)31-23(29)27-14-10-20(11-15-27)22(28)26-13-5-12-25(16-17-26)18-19-6-8-21(30-4)9-7-19/h6-9,20H,5,10-18H2,1-4H3