[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2-isopropyl-4-quinolyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(2-propan-2-yl-4-quinolinyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(2-isopropyl-4-quinolyl)methanone Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C26H28N6O/c1-17(2)23-15-20(18-7-3-5-9-21(18)28-23)26(33)32-13-11-31(12-14-32)16-24-29-22-10-6-4-8-19(22)25(27)30-24/h3-10,15,17H,11-14,16H2,1-2H3,(H2,27,29,30)