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

Systemtic Name: 4-ethanoyl-3-(3-methylbutyl)-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Openeye Name: 4-acetyl-1-benzyl-3-isopentyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate CAS Name: 4-acetyl-3-(3-methylbutyl)-2,7-dioxo-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate IUPAC Name: 4-acetyl-1-benzyl-3-(3-methylbutyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Traditional Name: 4-acetyl-1-benzyl-3-isoamyl-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Formula: C26H29N2O5- MolecularWeight: 449.51886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1C(=O)N(C2=CC=CC=C2C(=O)CC(N1C(=O)C)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1C(=O)N(C2=CC=CC=C2C(=O)CC(N1C(=O)C)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O5/c1-17(2)13-14-22-25(31)27(16-19-9-5-4-6-10-19)21-12-8-7-11-20(21)24(30)15-23(26(32)33)28(22)18(3)29/h4-12,17,22-23H,13-16H2,1-3H3,(H,32,33)/p-1