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

Systemtic Name: ethyl 2-ethyl-4-[(4-propan-2-yloxyphenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(4-isopropoxybenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(4-propan-2-yloxybenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(4-isopropoxybenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-5-18-21(24(29)30-6-2)22(26-20-10-8-7-9-19(20)25-18)27-23(28)16-11-13-17(14-12-16)31-15(3)4/h7-15,25H,5-6H2,1-4H3,(H,26,27,28)