[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(m-tolyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(3-methylphenyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(m-tolyl)methanone Formula: C21H23N5O MolecularWeight: 361.44022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H23N5O/c1-15-5-4-6-16(13-15)21(27)26-11-9-25(10-12-26)14-19-23-18-8-3-2-7-17(18)20(22)24-19/h2-8,13H,9-12,14H2,1H3,(H2,22,23,24)