N-[3-[[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methyl-methanamide

Systemtic Name: N-[3-[[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methyl-methanamide Openeye Name: N-[3-[[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methyl-formamide CAS Name: N-[3-[[[[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]-N-methylformamide IUPAC Name: N-[3-[[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methylformamide Traditional Name: N-[3-[[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]-N-methyl-formamide Formula: C30H31N5O4 MolecularWeight: 525.59824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)N(C)C=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)N(C)C=O)C4=CC=CC=C4

InChI

InChI=1S/C30H31N5O4/c1-30(2,3)25(37)18-35-24-16-9-8-15-23(24)26(20-11-6-5-7-12-20)32-27(28(35)38)33-29(39)31-21-13-10-14-22(17-21)34(4)19-36/h5-17,19,27H,18H2,1-4H3,(H2,31,33,39)