ethyl 2-ethyl-4-[[4-(hydroxymethyl)phenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-[[4-(hydroxymethyl)phenyl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[[4-(hydroxymethyl)phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[[4-(hydroxymethyl)benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(4-methylolbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)CO)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)CO)C(=O)OCC

InChI

InChI=1S/C22H23N3O4/c1-3-16-19(22(28)29-4-2)20(24-18-8-6-5-7-17(18)23-16)25-21(27)15-11-9-14(13-26)10-12-15/h5-12,23,26H,3-4,13H2,1-2H3,(H,24,25,27)