ethyl 1-aminocarbonyl-2-(butylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate

Systemtic Name: ethyl 1-aminocarbonyl-2-(butylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Openeye Name: ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate CAS Name: 2-[[butylamino(oxo)methyl]amino]-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Traditional Name: 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-3-carboxylic acid ethyl ester Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(N2CCCCCC2=C1C(=O)N)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)NC1=C(N2CCCCCC2=C1C(=O)N)C(=O)OCC

InChI

InChI=1S/C18H28N4O4/c1-3-5-10-20-18(25)21-14-13(16(19)23)12-9-7-6-8-11-22(12)15(14)17(24)26-4-2/h3-11H2,1-2H3,(H2,19,23)(H2,20,21,25)