tert-butyl 4-[2-(2-butoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-butoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-butoxy-2-oxo-ethyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2-butoxy-2-oxoethyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-butoxy-2-oxoethyl)-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2-butoxy-2-keto-ethyl)-3-keto-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H45N3O5 MolecularWeight: 563.7275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)N(CC2=CC=CC=C2N1C3CCN(CC3)C(=O)OC(C)(C)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)CC1C(=O)N(CC2=CC=CC=C2N1C3CCN(CC3)C(=O)OC(C)(C)C)CCC4=CC=CC=C4

InChI

InChI=1S/C33H45N3O5/c1-5-6-22-40-30(37)23-29-31(38)35(19-16-25-12-8-7-9-13-25)24-26-14-10-11-15-28(26)36(29)27-17-20-34(21-18-27)32(39)41-33(2,3)4/h7-15,27,29H,5-6,16-24H2,1-4H3