(E)-2-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-3-(3-methoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-3-(3-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-3-(3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)acrylonitrile Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O2/c1-27-20-7-2-4-16(13-20)12-17(15-23)21(26)25-10-8-24(9-11-25)19-6-3-5-18(22)14-19/h2-7,12-14H,8-11H2,1H3/b17-12+