1-[2-(azocan-1-yl)pyridin-3-yl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine

Systemtic Name: 1-[2-(azocan-1-yl)pyridin-3-yl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine Openeye Name: 1-[2-(azocan-1-yl)-3-pyridyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine CAS Name: 1-[2-(1-azocanyl)-3-pyridinyl]-N-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]methanamine IUPAC Name: 1-[2-(azocan-1-yl)pyridin-3-yl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine Traditional Name: [2-(azocan-1-yl)-3-pyridyl]methyl-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]amine Formula: C22H28N6 MolecularWeight: 376.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=N2)CNCC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=N2)CNCC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C22H28N6/c1-2-4-14-27(15-5-3-1)21-19(9-6-11-24-21)17-23-18-20-10-7-16-28(20)22-25-12-8-13-26-22/h6-13,16,23H,1-5,14-15,17-18H2