5-(azepan-1-yl)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 5-(azepan-1-yl)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde Openeye Name: 5-(azepan-1-yl)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 5-(1-azepanyl)-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 5-(azepan-1-yl)-3-methyl-1-phenylpyrazole-4-carbaldehyde Traditional Name: 5-(azepan-1-yl)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O/c1-14-16(13-21)17(19-11-7-2-3-8-12-19)20(18-14)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3