tert-butyl 4-[(2-methyl-4-oxidanylidene-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)amino]benzoate

Systemtic Name: tert-butyl 4-[(2-methyl-4-oxidanylidene-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)amino]benzoate Openeye Name: tert-butyl 4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)amino]benzoate CAS Name: 4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)amino]benzoate Traditional Name: 4-[(4-keto-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)amino]benzoic acid tert-butyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC3=C(CCC3NC4=CC=C(C=C4)C(=O)OC(C)(C)C)C=C2N1

Isomeric SMILES

CC1=NC(=O)C2=CC3=C(CCC3NC4=CC=C(C=C4)C(=O)OC(C)(C)C)C=C2N1

InChI

InChI=1S/C23H25N3O3/c1-13-24-20-11-15-7-10-19(17(15)12-18(20)21(27)25-13)26-16-8-5-14(6-9-16)22(28)29-23(2,3)4/h5-6,8-9,11-12,19,26H,7,10H2,1-4H3,(H,24,25,27)