ethyl 4-(cyclopentylcarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-(cyclopentylcarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-(cyclopentanecarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[cyclopentyl(oxo)methyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopentanecarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(cyclopentanecarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3CCCC3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3CCCC3)C(=O)OCC

InChI

InChI=1S/C20H25N3O3/c1-3-14-17(20(25)26-4-2)18(23-19(24)13-9-5-6-10-13)22-16-12-8-7-11-15(16)21-14/h7-8,11-13,21H,3-6,9-10H2,1-2H3,(H,22,23,24)