tert-butyl N-[[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCCC2C3=CC=CN3C

InChI

InChI=1S/C24H33N3O3/c1-24(2,3)30-23(29)25-17-18-11-13-19(14-12-18)22(28)27-16-7-5-6-9-21(27)20-10-8-15-26(20)4/h8,10-15,21H,5-7,9,16-17H2,1-4H3,(H,25,29)