N-[[6-chloranyl-2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl]pyridin-4-amine

Systemtic Name: N-[[6-chloranyl-2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl]pyridin-4-amine Openeye Name: N-[[6-chloro-2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl]pyridin-4-amine CAS Name: N-[[6-chloro-2-[(4-nitrophenoxy)methyl]-1-benzimidazolyl]methyl]-4-pyridinamine IUPAC Name: N-[[6-chloro-2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl]pyridin-4-amine Traditional Name: [6-chloro-2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl-(4-pyridyl)amine Formula: C20H16ClN5O3 MolecularWeight: 409.82574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NC3=C(N2CNC4=CC=NC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NC3=C(N2CNC4=CC=NC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN5O3/c21-14-1-6-18-19(11-14)25(13-23-15-7-9-22-10-8-15)20(24-18)12-29-17-4-2-16(3-5-17)26(27)28/h1-11H,12-13H2,(H,22,23)