tert-butyl N-[1-[3-cyanopropyl-(phenylmethyl)amino]pentan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-cyanopropyl-(phenylmethyl)amino]pentan-3-yl]carbamate Openeye Name: tert-butyl N-[3-[benzyl(3-cyanopropyl)amino]-1-ethyl-propyl]carbamate CAS Name: N-[1-[3-cyanopropyl-(phenylmethyl)amino]pentan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[benzyl(3-cyanopropyl)amino]pentan-3-yl]carbamate Traditional Name: N-[3-[benzyl(3-cyanopropyl)amino]-1-ethyl-propyl]carbamic acid tert-butyl ester Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN(CCCC#N)CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(CCN(CCCC#N)CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O2/c1-5-19(23-20(25)26-21(2,3)4)13-16-24(15-10-9-14-22)17-18-11-7-6-8-12-18/h6-8,11-12,19H,5,9-10,13,15-17H2,1-4H3,(H,23,25)