N-[2-(2-chloroethyl)-5-oxidanyl-phenyl]-2-[4-(diethylamino)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[2-(2-chloroethyl)-5-oxidanyl-phenyl]-2-[4-(diethylamino)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-(2-chloroethyl)-5-hydroxy-phenyl]-2-[4-(diethylamino)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[2-(2-chloroethyl)-5-hydroxyphenyl]-2-[4-(diethylamino)phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[2-(2-chloroethyl)-5-hydroxyphenyl]-2-[4-(diethylamino)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-(2-chloroethyl)-5-hydroxy-phenyl]-2-[4-(diethylamino)phenyl]-3H-benzimidazole-5-carboxamide Formula: C26H27ClN4O2 MolecularWeight: 462.97118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)O)CCCl

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)O)CCCl

InChI

InChI=1S/C26H27ClN4O2/c1-3-31(4-2)20-9-5-18(6-10-20)25-28-22-12-8-19(15-24(22)29-25)26(33)30-23-16-21(32)11-7-17(23)13-14-27/h5-12,15-16,32H,3-4,13-14H2,1-2H3,(H,28,29)(H,30,33)