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

Systemtic Name: ethyl 4-(butylcarbamoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-(butylcarbamoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[butylamino(oxo)methyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(butylcarbamoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(butylcarbamoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC2=CC=CC=C2NC(=C1C(=O)OCC)CC

Isomeric SMILES

CCCCNC(=O)NC1=NC2=CC=CC=C2NC(=C1C(=O)OCC)CC

InChI

InChI=1S/C19H26N4O3/c1-4-7-12-20-19(25)23-17-16(18(24)26-6-3)13(5-2)21-14-10-8-9-11-15(14)22-17/h8-11,21H,4-7,12H2,1-3H3,(H2,20,22,23,25)