2-[(1-phenylpyrazol-3-yl)amino]-6-[(E)-prop-1-enyl]-5-prop-2-enyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 2-[(1-phenylpyrazol-3-yl)amino]-6-[(E)-prop-1-enyl]-5-prop-2-enyl-cyclohexa-2,4-dien-1-one Openeye Name: 5-allyl-2-[(1-phenylpyrazol-3-yl)amino]-6-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-one CAS Name: 2-[(1-phenyl-3-pyrazolyl)amino]-6-[(E)-prop-1-enyl]-5-prop-2-enyl-1-cyclohexa-2,4-dienone IUPAC Name: 2-[(1-phenylpyrazol-3-yl)amino]-6-[(E)-prop-1-enyl]-5-prop-2-enylcyclohexa-2,4-dien-1-one Traditional Name: 5-allyl-2-[(1-phenylpyrazol-3-yl)amino]-6-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-one Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1C(=CC=C(C1=O)NC2=NN(C=C2)C3=CC=CC=C3)CC=C

Isomeric SMILES

C/C=C/C1C(=CC=C(C1=O)NC2=NN(C=C2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C21H21N3O/c1-3-8-16-12-13-19(21(25)18(16)9-4-2)22-20-14-15-24(23-20)17-10-6-5-7-11-17/h3-7,9-15,18H,1,8H2,2H3,(H,22,23)/b9-4+