2-(azepan-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-(azepan-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-(1-azepanyl)-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-(azepan-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-(azepan-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O/c23-18(15-21-10-6-1-2-7-11-21)19-12-16-13-20-22(14-16)17-8-4-3-5-9-17/h3-5,8-9,13-14H,1-2,6-7,10-12,15H2,(H,19,23)