N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-3-nitro-5-(pyridin-3-ylmethyl)pyridin-2-amine

Systemtic Name: N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-3-nitro-5-(pyridin-3-ylmethyl)pyridin-2-amine Openeye Name: N-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-3-nitro-5-(3-pyridylmethyl)pyridin-2-amine CAS Name: N-[4-(5-bromo-3-methyl-2-pyridinyl)butyl]-3-nitro-5-(3-pyridinylmethyl)-2-pyridinamine IUPAC Name: N-[4-(5-bromo-3-methylpyridin-2-yl)butyl]-3-nitro-5-(pyridin-3-ylmethyl)pyridin-2-amine Traditional Name: 4-(5-bromo-3-methyl-2-pyridyl)butyl-[3-nitro-5-(3-pyridylmethyl)-2-pyridyl]amine Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=C(C=C(C=N2)CC3=CN=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=C(C=C(C=N2)CC3=CN=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H22BrN5O2/c1-15-9-18(22)14-25-19(15)6-2-3-8-24-21-20(27(28)29)11-17(13-26-21)10-16-5-4-7-23-12-16/h4-5,7,9,11-14H,2-3,6,8,10H2,1H3,(H,24,26)