[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3,4-dimethoxy-5-prop-2-enyl-phenyl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3,4-dimethoxy-5-prop-2-enyl-phenyl)methanone Openeye Name: (3-allyl-4,5-dimethoxy-phenyl)-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone Traditional Name: (3-allyl-4,5-dimethoxy-phenyl)-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]methanone Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3/c1-4-7-17-14-18(15-21(32-2)23(17)33-3)25(31)30-12-10-29(11-13-30)16-22-27-20-9-6-5-8-19(20)24(26)28-22/h4-6,8-9,14-15H,1,7,10-13,16H2,2-3H3,(H2,26,27,28)