[5-methyl-2-oxidanylidene-1-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)-3H-1,4-benzodiazepin-3-yl]carbamic acid

Systemtic Name: [5-methyl-2-oxidanylidene-1-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)-3H-1,4-benzodiazepin-3-yl]carbamic acid Openeye Name: [1-(2-anilino-1-methyl-2-oxo-ethyl)-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid CAS Name: [1-(1-anilino-1-oxopropan-2-yl)-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid IUPAC Name: [1-(1-anilino-1-oxopropan-2-yl)-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid Traditional Name: [1-(2-anilino-2-keto-1-methyl-ethyl)-2-keto-5-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(=O)N(C2=CC=CC=C12)C(C)C(=O)NC3=CC=CC=C3)NC(=O)O

Isomeric SMILES

CC1=NC(C(=O)N(C2=CC=CC=C12)C(C)C(=O)NC3=CC=CC=C3)NC(=O)O

InChI

InChI=1S/C20H20N4O4/c1-12-15-10-6-7-11-16(15)24(19(26)17(21-12)23-20(27)28)13(2)18(25)22-14-8-4-3-5-9-14/h3-11,13,17,23H,1-2H3,(H,22,25)(H,27,28)