1-[7-methyl-1-(3-methylbut-2-enoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea

Systemtic Name: 1-[7-methyl-1-(3-methylbut-2-enoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: [7-methyl-1-(3-methylbut-2-enoyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: [7-methyl-1-(3-methyl-1-oxobut-2-enyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: [7-methyl-1-(3-methylbut-2-enoyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: [4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-1-(3-methylbut-2-enoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)N)C(=O)C=C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)N)C(=O)C=C(C)C

InChI

InChI=1S/C25H28N4O4/c1-15(2)11-23(31)28-13-19(27-25(26)33)24(32)29(21-12-16(3)9-10-20(21)28)14-22(30)18-8-6-5-7-17(18)4/h5-12,19H,13-14H2,1-4H3,(H3,26,27,33)