tert-butyl N-[[4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C25H37N3O4/c1-25(2,3)32-24(31)26-18-19-8-10-20(11-9-19)22(29)28-16-12-21(13-17-28)23(30)27-14-6-4-5-7-15-27/h8-11,21H,4-7,12-18H2,1-3H3,(H,26,31)