(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(1,3-diphenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(1,3-diphenylpyrazol-4-yl)prop-2-en-1-one Formula: C30H34N4O2 MolecularWeight: 482.61656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H34N4O2/c35-28(32-21-17-25(18-22-32)30(36)33-19-9-1-2-10-20-33)16-15-26-23-34(27-13-7-4-8-14-27)31-29(26)24-11-5-3-6-12-24/h3-8,11-16,23,25H,1-2,9-10,17-22H2/b16-15+