(E)-3-(1H-indol-3-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1H-indol-3-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1H-indol-3-yl)-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(1H-indol-3-yl)-2-[oxo-(4-propylphenyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(1H-indol-3-yl)-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1H-indol-3-yl)-2-(4-propylbenzoyl)acrylonitrile Formula: C21H18N2O MolecularWeight: 314.38042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CNC3=CC=CC=C32)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N

InChI

InChI=1S/C21H18N2O/c1-2-5-15-8-10-16(11-9-15)21(24)17(13-22)12-18-14-23-20-7-4-3-6-19(18)20/h3-4,6-12,14,23H,2,5H2,1H3/b17-12+