3-[4-[1,4-bis(oxidanylidene)-3-phenylazanyl-naphthalen-2-yl]piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[1,4-bis(oxidanylidene)-3-phenylazanyl-naphthalen-2-yl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-(3-anilino-1,4-dioxo-2-naphthyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-(3-anilino-1,4-dioxo-2-naphthalenyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(3-anilino-1,4-dioxonaphthalen-2-yl)piperazin-1-yl]propanenitrile Traditional Name: 3-[4-(3-anilino-1,4-diketo-2-naphthyl)piperazino]propionitrile Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC#N)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2/c24-11-6-12-26-13-15-27(16-14-26)21-20(25-17-7-2-1-3-8-17)22(28)18-9-4-5-10-19(18)23(21)29/h1-5,7-10,25H,6,12-16H2