tert-butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H30N2O2 MolecularWeight: 318.4537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CCCC2=CC=CC=C2

InChI

InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-8-13-20(15-16-21)12-7-11-17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3