3-azanyl-N-[[1-[(E)-1-azanyl-2-nitro-ethenyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[1-[(E)-1-azanyl-2-nitro-ethenyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-[(E)-1-amino-2-nitro-vinyl]-4-phenyl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[(E)-1-amino-2-nitroethenyl]-4-phenyl-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-[(E)-1-amino-2-nitroethenyl]-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-[(E)-1-amino-2-nitro-vinyl]-4-phenyl-4-piperidyl]methyl]pyrazinamide Formula: C19H23N7O3 MolecularWeight: 397.43102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3)C(=C[N+](=O)[O-])N

Isomeric SMILES

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3)/C(=C/[N+](=O)[O-])/N

InChI

InChI=1S/C19H23N7O3/c20-15(12-26(28)29)25-10-6-19(7-11-25,14-4-2-1-3-5-14)13-24-18(27)16-17(21)23-9-8-22-16/h1-5,8-9,12H,6-7,10-11,13,20H2,(H2,21,23)(H,24,27)/b15-12+