N-[4-[4-[(3-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[4-[(3-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-[(3-pyrazol-1-ylphenyl)methylamino]-1-piperidyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[[3-(1-pyrazolyl)phenyl]methylamino]-1-piperidinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-[(3-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-[(3-pyrazol-1-ylbenzyl)amino]piperidino]phenyl]-piperonylamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1NCC2=CC(=CC=C2)N3C=CC=N3)C4=CC=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H29N5O3/c35-29(22-5-10-27-28(18-22)37-20-36-27)32-24-6-8-25(9-7-24)33-15-11-23(12-16-33)30-19-21-3-1-4-26(17-21)34-14-2-13-31-34/h1-10,13-14,17-18,23,30H,11-12,15-16,19-20H2,(H,32,35)