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

Systemtic Name: 3-(cycloheptylmethyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Openeye Name: 4-acetyl-1-benzyl-3-(cycloheptylmethyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate CAS Name: 4-acetyl-3-(cycloheptylmethyl)-2,7-dioxo-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate IUPAC Name: 4-acetyl-1-benzyl-3-(cycloheptylmethyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Traditional Name: 4-acetyl-1-benzyl-3-(cycloheptylmethyl)-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Formula: C29H33N2O5- MolecularWeight: 489.58272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC3CCCCCC3)CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC3CCCCCC3)CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C29H34N2O5/c1-20(32)31-25(17-21-11-5-2-3-6-12-21)28(34)30(19-22-13-7-4-8-14-22)24-16-10-9-15-23(24)27(33)18-26(31)29(35)36/h4,7-10,13-16,21,25-26H,2-3,5-6,11-12,17-19H2,1H3,(H,35,36)/p-1