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

Systemtic Name: 1-[3-(dimethylamino)phenyl]-3-[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: 1-[3-(dimethylamino)phenyl]-3-[1-(2,2-dimethylpropanoyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: 1-[3-(dimethylamino)phenyl]-3-[1-(2,2-dimethyl-1-oxopropyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: 1-[3-(dimethylamino)phenyl]-3-[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: 1-[3-(dimethylamino)phenyl]-3-[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C32H37N5O4 MolecularWeight: 555.66728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC(=CC=C4)N(C)C)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC(=CC=C4)N(C)C)C(=O)C(C)(C)C

InChI

InChI=1S/C32H37N5O4/c1-21-12-7-8-15-24(21)28(38)20-36-26-16-9-10-17-27(26)37(30(40)32(2,3)4)19-25(29(36)39)34-31(41)33-22-13-11-14-23(18-22)35(5)6/h7-18,25H,19-20H2,1-6H3,(H2,33,34,41)