tert-butyl 4-[3-[3-(dibenzofuran-4-ylcarbonylamino)-2-methyl-phenyl]-4-oxidanylidene-quinazolin-6-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[3-(dibenzofuran-4-ylcarbonylamino)-2-methyl-phenyl]-4-oxidanylidene-quinazolin-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-(dibenzofuran-4-carbonylamino)-2-methyl-phenyl]-4-oxo-quinazolin-6-yl]piperazine-1-carboxylate CAS Name: 4-[3-[3-[[4-dibenzofuranyl(oxo)methyl]amino]-2-methylphenyl]-4-oxo-6-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3-(dibenzofuran-4-carbonylamino)-2-methylphenyl]-4-oxoquinazolin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[3-(dibenzofuran-4-carbonylamino)-2-methyl-phenyl]-4-keto-quinazolin-6-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C37H35N5O5 MolecularWeight: 629.7043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=CC3=C2OC4=CC=CC=C34)N5C=NC6=C(C5=O)C=C(C=C6)N7CCN(CC7)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=CC3=C2OC4=CC=CC=C34)N5C=NC6=C(C5=O)C=C(C=C6)N7CCN(CC7)C(=O)OC(C)(C)C

InChI

InChI=1S/C37H35N5O5/c1-23-29(39-34(43)27-11-7-10-26-25-9-5-6-14-32(25)46-33(26)27)12-8-13-31(23)42-22-38-30-16-15-24(21-28(30)35(42)44)40-17-19-41(20-18-40)36(45)47-37(2,3)4/h5-16,21-22H,17-20H2,1-4H3,(H,39,43)