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

Systemtic Name: [3-(dimethylamino)-1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [1-(dimethylaminomethyl)-2-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-oxo-ethyl]carbamic acid CAS Name: [3-(dimethylamino)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]carbamic acid IUPAC Name: [3-(dimethylamino)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]carbamic acid Traditional Name: [1-(dimethylaminomethyl)-2-keto-2-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]ethyl]carbamic acid Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CN(C)C)NC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CN(C)C)NC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O4/c1-26(2)13-16(23-22(30)31)20(28)25-19-21(29)27(3)17-12-8-7-11-15(17)18(24-19)14-9-5-4-6-10-14/h4-12,16,19,23H,13H2,1-3H3,(H,25,28)(H,30,31)