N-[1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclobutyl]pyrimidine-5-carboxamide

Systemtic Name: N-[1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclobutyl]pyrimidine-5-carboxamide Openeye Name: N-[1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclobutyl]pyrimidine-5-carboxamide CAS Name: N-[1-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]cyclobutyl]-5-pyrimidinecarboxamide IUPAC Name: N-[1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclobutyl]pyrimidine-5-carboxamide Traditional Name: N-[1-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclobutyl]pyrimidine-5-carboxamide Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCC3)NC(=O)C4=CN=CN=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCC3)NC(=O)C4=CN=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N6O3/c1-32-20-11-6-5-10-19(20)21(17-8-3-2-4-9-17)29-22(24(32)34)30-25(35)26(12-7-13-26)31-23(33)18-14-27-16-28-15-18/h2-6,8-11,14-16,22H,7,12-13H2,1H3,(H,30,35)(H,31,33)