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

Systemtic Name: ethyl 1-aminocarbonyl-2-(phenylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Openeye Name: ethyl 1-carbamoyl-2-(phenylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate CAS Name: 2-[[anilino(oxo)methyl]amino]-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-carbamoyl-2-(phenylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Traditional Name: 1-carbamoyl-2-(phenylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-3-carboxylic acid ethyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1CCCCC2)C(=O)N)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1CCCCC2)C(=O)N)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4/c1-2-28-19(26)17-16(23-20(27)22-13-9-5-3-6-10-13)15(18(21)25)14-11-7-4-8-12-24(14)17/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H2,21,25)(H2,22,23,27)