tert-butyl N-[[C-(3-oxidanylidenecyclohexa-1,5-dien-1-yl)-N-(3-pyrrolidin-1-ylpropyl)carbonimidoyl]amino]carbamate

Systemtic Name: tert-butyl N-[[C-(3-oxidanylidenecyclohexa-1,5-dien-1-yl)-N-(3-pyrrolidin-1-ylpropyl)carbonimidoyl]amino]carbamate Openeye Name: tert-butyl N-[[C-(3-oxocyclohexa-1,5-dien-1-yl)-N-(3-pyrrolidin-1-ylpropyl)carbonimidoyl]amino]carbamate CAS Name: N-[[(3-oxo-1-cyclohexa-1,5-dienyl)-[3-(1-pyrrolidinyl)propylimino]methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[C-(3-oxocyclohexa-1,5-dien-1-yl)-N-(3-pyrrolidin-1-ylpropyl)carbonimidoyl]amino]carbamate Traditional Name: N-[[C-(3-ketocyclohexa-1,5-dien-1-yl)-N-(3-pyrrolidinopropyl)carbonimidoyl]amino]carbamic acid tert-butyl ester Formula: C19H30N4O3 MolecularWeight: 362.4665

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=NCCCN1CCCC1)C2=CC(=O)CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=NCCCN1CCCC1)C2=CC(=O)CC=C2

InChI

InChI=1S/C19H30N4O3/c1-19(2,3)26-18(25)22-21-17(15-8-6-9-16(24)14-15)20-10-7-13-23-11-4-5-12-23/h6,8,14H,4-5,7,9-13H2,1-3H3,(H,20,21)(H,22,25)