tert-butyl N-[4-[2-[2-(azepan-1-yl)ethylamino]-2-oxidanylidene-ethyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-[2-(azepan-1-yl)ethylamino]-2-oxidanylidene-ethyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-[2-(azepan-1-yl)ethylamino]-2-oxo-ethyl]phenyl]carbamate CAS Name: N-[4-[2-[2-(1-azepanyl)ethylamino]-2-oxoethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethyl]phenyl]carbamate Traditional Name: N-[4-[2-[2-(azepan-1-yl)ethylamino]-2-keto-ethyl]phenyl]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)NC1=CC=C(C=C1)CC(=O)NCCN2CCCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)NCCN2CCCCCC2

InChI

InChI=1S/C21H33N3O3/c1-21(2,3)27-20(26)23-18-10-8-17(9-11-18)16-19(25)22-12-15-24-13-6-4-5-7-14-24/h8-11H,4-7,12-16H2,1-3H3,(H,22,25)(H,23,26)