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

Systemtic Name: (E)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-3-naphthalen-1-yl-prop-2-enenitrile Openeye Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(1-naphthyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-(1-naphthalenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-naphthalen-1-ylprop-2-enenitrile Traditional Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(1-naphthyl)acrylonitrile Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(=CC3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/C#N

InChI

InChI=1S/C25H23N3O2/c1-30-23-11-9-22(10-12-23)27-13-15-28(16-14-27)25(29)21(18-26)17-20-7-4-6-19-5-2-3-8-24(19)20/h2-12,17H,13-16H2,1H3/b21-17+