[4-(4-azanyl-6,7-dimethoxy-quinolin-2-yl)piperazin-1-yl]-(4-iodophenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinolin-2-yl)piperazin-1-yl]-(4-iodophenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-2-quinolyl)piperazin-1-yl]-(4-iodophenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinolinyl)-1-piperazinyl]-(4-iodophenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(4-iodophenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-2-quinolyl)piperazino]-(4-iodophenyl)methanone Formula: C22H23IN4O3 MolecularWeight: 518.34749

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)I)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)I)N)OC

InChI

InChI=1S/C22H23IN4O3/c1-29-19-11-16-17(24)12-21(25-18(16)13-20(19)30-2)26-7-9-27(10-8-26)22(28)14-3-5-15(23)6-4-14/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25)