tert-butyl 7-methyl-2-oxidanylidene-1-(phenylmethyl)-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxylate

Systemtic Name: tert-butyl 7-methyl-2-oxidanylidene-1-(phenylmethyl)-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxylate Openeye Name: tert-butyl 1-benzyl-7-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxylate CAS Name: 7-methyl-2-oxo-1-(phenylmethyl)-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-7-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxylate Traditional Name: 1-benzyl-2-keto-7-methyl-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxylic acid tert-butyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(=O)N(C2=CC=CC=C12)CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CCN(CC(=O)N(C2=CC=CC=C12)CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H30N2O3/c1-18-14-15-25(23(28)29-24(2,3)4)17-22(27)26(16-19-10-6-5-7-11-19)21-13-9-8-12-20(18)21/h5-13,18H,14-17H2,1-4H3