tert-butyl N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-oxo-3-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propyl]carbamate CAS Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]propyl]carbamic acid tert-butyl ester Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O3/c1-17-6-8-18(9-7-17)16-23-12-5-13-24(15-14-23)19(25)10-11-22-20(26)27-21(2,3)4/h6-9H,5,10-16H2,1-4H3,(H,22,26)