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

Systemtic Name: N-[4-[4-[[1-(phenylmethyl)pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide Openeye Name: N-[4-[4-[(1-benzylpyrazol-4-yl)methylamino]-1-piperidyl]phenyl]pyrazine-2-carboxamide CAS Name: N-[4-[4-[[1-(phenylmethyl)-4-pyrazolyl]methylamino]-1-piperidinyl]phenyl]-2-pyrazinecarboxamide IUPAC Name: N-[4-[4-[(1-benzylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide Traditional Name: N-[4-[4-[(1-benzylpyrazol-4-yl)methylamino]piperidino]phenyl]pyrazinamide Formula: C27H29N7O MolecularWeight: 467.56546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CN(N=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

Isomeric SMILES

C1CN(CCC1NCC2=CN(N=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

InChI

InChI=1S/C27H29N7O/c35-27(26-18-28-12-13-29-26)32-24-6-8-25(9-7-24)33-14-10-23(11-15-33)30-16-22-17-31-34(20-22)19-21-4-2-1-3-5-21/h1-9,12-13,17-18,20,23,30H,10-11,14-16,19H2,(H,32,35)