[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C23H27N5O4/c1-30-18-12-15(13-19(31-2)21(18)32-3)23(29)28-10-8-27(9-11-28)14-20-25-17-7-5-4-6-16(17)22(24)26-20/h4-7,12-13H,8-11,14H2,1-3H3,(H2,24,25,26)