tert-butyl 4-[3-(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)propyl]benzoate

Systemtic Name: tert-butyl 4-[3-(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)propyl]benzoate Openeye Name: tert-butyl 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)propyl]benzoate CAS Name: 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)propyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)propyl]benzoate Traditional Name: 4-[3-(2-amino-4-keto-5,6,7,8-tetrahydro-1H-quinazolin-6-yl)propyl]benzoic acid tert-butyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC2CCC3=C(C2)C(=O)N=C(N3)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC2CCC3=C(C2)C(=O)N=C(N3)N

InChI

InChI=1S/C22H29N3O3/c1-22(2,3)28-20(27)16-10-7-14(8-11-16)5-4-6-15-9-12-18-17(13-15)19(26)25-21(23)24-18/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H3,23,24,25,26)