[4-[[5-(4-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamoyl]-2-methyl-nonan-5-yl] ethanoate

Systemtic Name: [4-[[5-(4-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamoyl]-2-methyl-nonan-5-yl] ethanoate Openeye Name: [1-butyl-2-[[5-(4-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamoyl]-4-methyl-pentyl] acetate CAS Name: acetic acid [4-[[[5-(4-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]-2-methylnonan-5-yl] ester IUPAC Name: [4-[[5-(4-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamoyl]-2-methylnonan-5-yl] acetate Traditional Name: acetic acid [1-butyl-2-[[5-(4-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]carbamoyl]-4-methyl-pentyl] ester Formula: C29H36FN3O4 MolecularWeight: 509.612243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)F)C)OC(=O)C

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)F)C)OC(=O)C

InChI

InChI=1S/C29H36FN3O4/c1-6-7-12-25(37-19(4)34)23(17-18(2)3)28(35)32-27-29(36)33(5)24-11-9-8-10-22(24)26(31-27)20-13-15-21(30)16-14-20/h8-11,13-16,18,23,25,27H,6-7,12,17H2,1-5H3,(H,32,35)