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8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid

8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid

Systemtic Name:8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid
Openeye Name:8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid
CAS Name:8-[4-[(1-phenyl-3-pyrazolyl)methyl]-1,4-diazepan-1-yl]-6-quinolinecarboxylic acid
IUPAC Name:8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid
Traditional Name:8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid
Formula: C25H25N5O2
MolecularWeight: 427.4983
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C3C(=CC(=C2)C(=O)O)C=CC=N3)CC4=NN(C=C4)C5=CC=CC=C5


Isomeric SMILES

C1CN(CCN(C1)C2=C3C(=CC(=C2)C(=O)O)C=CC=N3)CC4=NN(C=C4)C5=CC=CC=C5


InChI

InChI=1S/C25H25N5O2/c31-25(32)20-16-19-6-4-10-26-24(19)23(17-20)29-12-5-11-28(14-15-29)18-21-9-13-30(27-21)22-7-2-1-3-8-22/h1-4,6-10,13,16-17H,5,11-12,14-15,18H2,(H,31,32)


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