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

Systemtic Name: tert-butyl 4-[(2-methyl-4-oxidanylidene-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]benzoate CAS Name: 4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoate Traditional Name: 4-[(4-keto-2-methyl-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-propargyl-amino]benzoic acid tert-butyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=CC3=C(CCC3N(CC#C)C4=CC=C(C=C4)C(=O)OC(C)(C)C)C=C2N1

Isomeric SMILES

CC1=NC(=O)C2=CC3=C(CCC3N(CC#C)C4=CC=C(C=C4)C(=O)OC(C)(C)C)C=C2N1

InChI

InChI=1S/C26H27N3O3/c1-6-13-29(19-10-7-17(8-11-19)25(31)32-26(3,4)5)23-12-9-18-14-22-21(15-20(18)23)24(30)28-16(2)27-22/h1,7-8,10-11,14-15,23H,9,12-13H2,2-5H3,(H,27,28,30)