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

Systemtic Name: 1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-quinolin-6-yl-urea Openeye Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(6-quinolyl)urea CAS Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(6-quinolinyl)urea IUPAC Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-quinolin-6-ylurea Traditional Name: 1-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(6-quinolyl)urea Formula: C26H21N5O2 MolecularWeight: 435.47724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC4=C(C=C3)N=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC4=C(C=C3)N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N5O2/c1-31-22-12-6-5-11-20(22)23(17-8-3-2-4-9-17)29-24(25(31)32)30-26(33)28-19-13-14-21-18(16-19)10-7-15-27-21/h2-16,24H,1H3,(H2,28,30,33)