1-[4-[[4-(3-imidazol-1-ylpropoxy)-2-methyl-phenyl]amino]-8-methoxy-quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[[4-(3-imidazol-1-ylpropoxy)-2-methyl-phenyl]amino]-8-methoxy-quinolin-3-yl]butan-1-one Openeye Name: 1-[4-[4-(3-imidazol-1-ylpropoxy)-2-methyl-anilino]-8-methoxy-3-quinolyl]butan-1-one CAS Name: 1-[4-[4-[3-(1-imidazolyl)propoxy]-2-methylanilino]-8-methoxy-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-[4-(3-imidazol-1-ylpropoxy)-2-methylanilino]-8-methoxyquinolin-3-yl]butan-1-one Traditional Name: 1-[4-[4-(3-imidazol-1-ylpropoxy)-2-methyl-anilino]-8-methoxy-3-quinolyl]butan-1-one Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)OCCCN4C=CN=C4)C)C=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)OCCCN4C=CN=C4)C)C=CC=C2OC

InChI

InChI=1S/C27H30N4O3/c1-4-7-24(32)22-17-29-27-21(8-5-9-25(27)33-3)26(22)30-23-11-10-20(16-19(23)2)34-15-6-13-31-14-12-28-18-31/h5,8-12,14,16-18H,4,6-7,13,15H2,1-3H3,(H,29,30)