3-(3-azanylpropyl)-2-(4-tert-butylphenyl)quinazolin-4-one

Systemtic Name: 3-(3-azanylpropyl)-2-(4-tert-butylphenyl)quinazolin-4-one Openeye Name: 3-(3-aminopropyl)-2-(4-tert-butylphenyl)quinazolin-4-one CAS Name: 3-(3-aminopropyl)-2-(4-tert-butylphenyl)-4-quinazolinone IUPAC Name: 3-(3-aminopropyl)-2-(4-tert-butylphenyl)quinazolin-4-one Traditional Name: 3-(3-aminopropyl)-2-(4-tert-butylphenyl)quinazolin-4-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCCN

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CCCN

InChI

InChI=1S/C21H25N3O/c1-21(2,3)16-11-9-15(10-12-16)19-23-18-8-5-4-7-17(18)20(25)24(19)14-6-13-22/h4-5,7-12H,6,13-14,22H2,1-3H3