1-[(3S)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(3S)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[(3S)-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[(3S)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(3S)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[(3S)-2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C28H29N5O3 MolecularWeight: 483.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=N4)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=N4)CC(=O)C(C)(C)C

InChI

InChI=1S/C28H29N5O3/c1-18-10-9-11-19(16-18)30-27(36)32-25-26(35)33(17-23(34)28(2,3)4)22-14-6-5-12-20(22)24(31-25)21-13-7-8-15-29-21/h5-16,25H,17H2,1-4H3,(H2,30,32,36)/t25-/m1/s1