2-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)ethanoic acid Openeye Name: 2-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)acetic acid CAS Name: 2-[4-(7-methoxy-8-quinolinyl)-1,4-diazepan-1-yl]-2-(1-phenyl-3-pyrazolyl)acetic acid IUPAC Name: 2-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-3-yl)acetic acid Traditional Name: 2-[4-(7-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=C(C2=C(C=CC=N2)C=C1)N3CCCN(CC3)C(C4=NN(C=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=C(C2=C(C=CC=N2)C=C1)N3CCCN(CC3)C(C4=NN(C=C4)C5=CC=CC=C5)C(=O)O

InChI

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