1-(6-azanylpyridin-3-yl)-1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-(6-azanylpyridin-3-yl)-1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(6-amino-3-pyridyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(6-amino-3-pyridinyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(6-aminopyridin-3-yl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-(6-amino-3-pyridyl)-1-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CN=C(C=C3)N)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CN=C(C=C3)N)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O2/c1-27-17-10-6-5-9-16(17)19(14-7-3-2-4-8-14)26-20(21(27)29)28(22(24)30)15-11-12-18(23)25-13-15/h2-13,20H,1H3,(H2,23,25)(H2,24,30)