tert-butyl N-[4-[[4-(azepan-1-yl)phenyl]amino]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[[4-(azepan-1-yl)phenyl]amino]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(azepan-1-yl)anilino]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-(1-azepanyl)anilino]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(azepan-1-yl)anilino]-4-oxobutyl]carbamate Traditional Name: N-[4-[4-(azepan-1-yl)anilino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=C(C=C1)N2CCCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=C(C=C1)N2CCCCCC2

InChI

InChI=1S/C21H33N3O3/c1-21(2,3)27-20(26)22-14-8-9-19(25)23-17-10-12-18(13-11-17)24-15-6-4-5-7-16-24/h10-13H,4-9,14-16H2,1-3H3,(H,22,26)(H,23,25)