1-[2-[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-6-methanoyl-phenyl]urea

Systemtic Name: 1-[2-[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-6-methanoyl-phenyl]urea Openeye Name: [2-[1-(2,2-dimethylpropanoyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-6-formyl-phenyl]urea CAS Name: [2-[1-(2,2-dimethyl-1-oxopropyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-6-formylphenyl]urea IUPAC Name: [2-[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-6-formylphenyl]urea Traditional Name: [2-formyl-6-[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]phenyl]urea Formula: C31H32N4O5 MolecularWeight: 540.60958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)C4=CC=CC(=C4NC(=O)N)C=O)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)C4=CC=CC(=C4NC(=O)N)C=O)C(=O)C(C)(C)C

InChI

InChI=1S/C31H32N4O5/c1-19-10-5-6-12-21(19)26(37)17-34-24-14-7-8-15-25(24)35(29(39)31(2,3)4)16-23(28(34)38)22-13-9-11-20(18-36)27(22)33-30(32)40/h5-15,18,23H,16-17H2,1-4H3,(H3,32,33,40)