1-[1-methyl-2-oxidanylidene-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-3-yl]-1-(3-methylphenyl)urea

Systemtic Name: 1-[1-methyl-2-oxidanylidene-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-3-yl]-1-(3-methylphenyl)urea Openeye Name: 1-[1-methyl-2-oxo-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-3-yl]-1-(m-tolyl)urea CAS Name: 1-[1-methyl-2-oxo-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-3-yl]-1-(3-methylphenyl)urea IUPAC Name: 1-[1-methyl-2-oxo-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-3-yl]-1-(3-methylphenyl)urea Traditional Name: 1-[2-keto-1-methyl-5-(2,4,6-trimethoxyphenyl)-3H-1,4-benzodiazepin-3-yl]-1-(m-tolyl)urea Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2C(=O)N(C3=CC=CC=C3C(=N2)C4=C(C=C(C=C4OC)OC)OC)C)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N(C2C(=O)N(C3=CC=CC=C3C(=N2)C4=C(C=C(C=C4OC)OC)OC)C)C(=O)N

InChI

InChI=1S/C27H28N4O5/c1-16-9-8-10-17(13-16)31(27(28)33)25-26(32)30(2)20-12-7-6-11-19(20)24(29-25)23-21(35-4)14-18(34-3)15-22(23)36-5/h6-15,25H,1-5H3,(H2,28,33)