2-[4-(6-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(6-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethanoic acid Openeye Name: 2-[4-(6-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)acetic acid CAS Name: 2-[4-(6-methoxy-8-quinolinyl)-1,4-diazepan-1-yl]-2-(1-phenyl-3-pyrazolyl)acetic acid IUPAC Name: 2-[4-(6-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)acetic acid Traditional Name: 2-[4-(6-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)acetic acid Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=CC=N2)N3CCCN(CC3)C(C4=NN(C=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC(=C2C(=C1)C=CC=N2)N3CCCN(CC3)C(C4=NN(C=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H27N5O3/c1-34-21-17-19-7-5-11-27-24(19)23(18-21)29-12-6-13-30(16-15-29)25(26(32)33)22-10-14-31(28-22)20-8-3-2-4-9-20/h2-5,7-11,14,17-18,25H,6,12-13,15-16H2,1H3,(H,32,33)