1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclopropyl-2-phenyl-ethanone

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclopropyl-2-phenyl-ethanone Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclopropyl-2-phenyl-ethanone CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-cyclopropyl-2-phenylethanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-cyclopropyl-2-phenylethanone Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-cyclopropyl-2-phenyl-ethanone Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C(C4CC4)C5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C(C4CC4)C5=CC=CC=C5)N)OC

InChI

InChI=1S/C25H29N5O3/c1-32-20-14-18-19(15-21(20)33-2)27-25(28-23(18)26)30-12-10-29(11-13-30)24(31)22(17-8-9-17)16-6-4-3-5-7-16/h3-7,14-15,17,22H,8-13H2,1-2H3,(H2,26,27,28)