(Z)-but-2-enedioic acid; 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile

Systemtic Name: (Z)-but-2-enedioic acid; 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile Openeye Name: maleic acid; 3-[4-(2-naphthyl)piperazin-1-yl]propanenitrile CAS Name: (Z)-2-butenedioic acid; 3-[4-(2-naphthalenyl)-1-piperazinyl]propanenitrile IUPAC Name: (Z)-but-2-enedioic acid; 3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile Traditional Name: maleic acid; 3-[4-(2-naphthyl)piperazino]propionitrile Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=CC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=CC3=CC=CC=C3C=C2.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N3.C4H4O4/c18-8-3-9-19-10-12-20(13-11-19)17-7-6-15-4-1-2-5-16(15)14-17;5-3(6)1-2-4(7)8/h1-2,4-7,14H,3,9-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1-