3-[[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylamino]methyl]-N-propyl-benzamide hydrochloride

Systemtic Name: 3-[[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylamino]methyl]-N-propyl-benzamide hydrochloride Openeye Name: 3-[[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylamino]methyl]-N-propyl-benzamide hydrochloride CAS Name: 3-[[(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methylamino]methyl]-N-propylbenzamide hydrochloride IUPAC Name: 3-[[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide hydrochloride Traditional Name: 3-[[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylamino]methyl]-N-propyl-benzamide hydrochloride Formula: C26H28ClN5O MolecularWeight: 461.98642

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)CNCC2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)CNCC2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H27N5O.ClH/c1-2-13-29-26(32)22-8-6-7-20(16-22)17-28-18-23-19-31(24-9-4-3-5-10-24)30-25(23)21-11-14-27-15-12-21;/h3-12,14-16,19,28H,2,13,17-18H2,1H3,(H,29,32);1H