(E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(2-methyl-1H-indole-3-carbonyl)acrylonitrile Formula: C28H21N5O MolecularWeight: 443.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)/C#N

InChI

InChI=1S/C28H21N5O/c1-19-26(24-11-5-6-12-25(24)31-19)28(34)22(15-29)14-23-18-33(17-20-8-3-2-4-9-20)32-27(23)21-10-7-13-30-16-21/h2-14,16,18,31H,17H2,1H3/b22-14+