(Z)-2-isocyano-3-(6-piperazin-1-ylnaphthalen-2-yl)but-2-enenitrile

Systemtic Name: (Z)-2-isocyano-3-(6-piperazin-1-ylnaphthalen-2-yl)but-2-enenitrile Openeye Name: (Z)-2-isocyano-3-(6-piperazin-1-yl-2-naphthyl)but-2-enenitrile CAS Name: (Z)-2-isocyano-3-[6-(1-piperazinyl)-2-naphthalenyl]-2-butenenitrile IUPAC Name: (Z)-2-isocyano-3-(6-piperazin-1-ylnaphthalen-2-yl)but-2-enenitrile Traditional Name: (Z)-2-isocyano-3-(6-piperazino-2-naphthyl)but-2-enenitrile Formula: C19H18N4 MolecularWeight: 302.37302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)[N+]#[C-])C1=CC2=C(C=C1)C=C(C=C2)N3CCNCC3

Isomeric SMILES

C/C(=C(\C#N)/[N+]#[C-])/C1=CC2=C(C=C1)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C19H18N4/c1-14(19(13-20)21-2)15-3-4-17-12-18(6-5-16(17)11-15)23-9-7-22-8-10-23/h3-6,11-12,22H,7-10H2,1H3/b19-14-