3-(cyclohexylmethyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate

Systemtic Name: 3-(cyclohexylmethyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Openeye Name: 4-acetyl-1-benzyl-3-(cyclohexylmethyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate CAS Name: 4-acetyl-3-(cyclohexylmethyl)-2,7-dioxo-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate IUPAC Name: 4-acetyl-1-benzyl-3-(cyclohexylmethyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Traditional Name: 4-acetyl-1-benzyl-3-(cyclohexylmethyl)-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Formula: C28H31N2O5- MolecularWeight: 475.55614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC3CCCCC3)CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC3CCCCC3)CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C28H32N2O5/c1-19(31)30-24(16-20-10-4-2-5-11-20)27(33)29(18-21-12-6-3-7-13-21)23-15-9-8-14-22(23)26(32)17-25(30)28(34)35/h3,6-9,12-15,20,24-25H,2,4-5,10-11,16-18H2,1H3,(H,34,35)/p-1