ethyl N-[6-(1,4-dimethyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: ethyl N-[6-(1,4-dimethyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate Openeye Name: ethyl N-[6-(1,4-dimethyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-(1,4-dimethyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-(1,4-dimethyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-(5-keto-1,4-dimethyl-2,3-dihydro-1,4-benzodiazepin-7-yl)-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]carbamic acid ethyl ester Formula: C25H25N7O3 MolecularWeight: 471.5111

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CC4=C(C=C3)N(CCN(C4=O)C)C)C5=NC=CC=N5

Isomeric SMILES

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CC4=C(C=C3)N(CCN(C4=O)C)C)C5=NC=CC=N5

InChI

InChI=1S/C25H25N7O3/c1-4-35-25(34)30-24-28-19-14-16(13-18(21(19)29-24)22-26-8-5-9-27-22)15-6-7-20-17(12-15)23(33)32(3)11-10-31(20)2/h5-9,12-14H,4,10-11H2,1-3H3,(H2,28,29,30,34)