N-[4-[4-[(3-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide

Systemtic Name: N-[4-[4-[(3-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide Openeye Name: N-[4-[4-[(3-pyrazol-1-ylphenyl)methylamino]-1-piperidyl]phenyl]pyrazine-2-carboxamide CAS Name: N-[4-[4-[[3-(1-pyrazolyl)phenyl]methylamino]-1-piperidinyl]phenyl]-2-pyrazinecarboxamide IUPAC Name: N-[4-[4-[(3-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide Traditional Name: N-[4-[4-[(3-pyrazol-1-ylbenzyl)amino]piperidino]phenyl]pyrazinamide Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC(=CC=C2)N3C=CC=N3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

Isomeric SMILES

C1CN(CCC1NCC2=CC(=CC=C2)N3C=CC=N3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

InChI

InChI=1S/C26H27N7O/c34-26(25-19-27-12-13-28-25)31-22-5-7-23(8-6-22)32-15-9-21(10-16-32)29-18-20-3-1-4-24(17-20)33-14-2-11-30-33/h1-8,11-14,17,19,21,29H,9-10,15-16,18H2,(H,31,34)