(E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Formula: C23H26N4O MolecularWeight: 374.47874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-25-15-8-12-21(25)22-11-6-3-7-16-26(22)23(28)14-13-19-17-24-27(18-19)20-9-4-2-5-10-20/h2,4-5,8-10,12-15,17-18,22H,3,6-7,11,16H2,1H3/b14-13+