ethyl N-[[1-(2,3-dimethylphenyl)-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamate

Systemtic Name: ethyl N-[[1-(2,3-dimethylphenyl)-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamate Openeye Name: ethyl N-[[1-(2,3-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamate CAS Name: N-[[1-(2,3-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[1-(2,3-dimethylphenyl)-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamate Traditional Name: N-[[1-(2,3-dimethylphenyl)-2-keto-3H-1,5-benzodiazepin-4-yl]amino]carbamic acid ethyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC1=NC2=CC=CC=C2N(C(=O)C1)C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)NNC1=NC2=CC=CC=C2N(C(=O)C1)C3=CC=CC(=C3C)C

InChI

InChI=1S/C20H22N4O3/c1-4-27-20(26)23-22-18-12-19(25)24(16-11-7-8-13(2)14(16)3)17-10-6-5-9-15(17)21-18/h5-11H,4,12H2,1-3H3,(H,21,22)(H,23,26)