3-(1-adamantylmethyl)-4-ethanoyl-1-[(3-methylphenyl)methyl]-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate

Systemtic Name: 3-(1-adamantylmethyl)-4-ethanoyl-1-[(3-methylphenyl)methyl]-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Openeye Name: 4-acetyl-3-(1-adamantylmethyl)-1-(m-tolylmethyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate CAS Name: 4-acetyl-3-(1-adamantylmethyl)-1-[(3-methylphenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate IUPAC Name: 4-acetyl-3-(1-adamantylmethyl)-1-[(3-methylphenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Traditional Name: 4-acetyl-3-(1-adamantylmethyl)-2,7-diketo-1-(3-methylbenzyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Formula: C33H37N2O5- MolecularWeight: 541.65728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)CC(N(C(C2=O)CC45CC6CC(C4)CC(C6)C5)C(=O)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)CC(N(C(C2=O)CC45CC6CC(C4)CC(C6)C5)C(=O)C)C(=O)[O-]

InChI

InChI=1S/C33H38N2O5/c1-20-6-5-7-22(10-20)19-34-27-9-4-3-8-26(27)30(37)14-28(32(39)40)35(21(2)36)29(31(34)38)18-33-15-23-11-24(16-33)13-25(12-23)17-33/h3-10,23-25,28-29H,11-19H2,1-2H3,(H,39,40)/p-1