(E)-3-[4-(azepan-1-yl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acrylamide Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C26H30N4O/c1-28(20-23-19-27-30(21-23)25-9-5-4-6-10-25)26(31)16-13-22-11-14-24(15-12-22)29-17-7-2-3-8-18-29/h4-6,9-16,19,21H,2-3,7-8,17-18,20H2,1H3/b16-13+