butan-2-amine; N-[5-(2-chloroethyl)-2-oxidanyl-phenyl]-1-phenyl-benzimidazole-5-carboxamide

Systemtic Name: butan-2-amine; N-[5-(2-chloroethyl)-2-oxidanyl-phenyl]-1-phenyl-benzimidazole-5-carboxamide Openeye Name: butan-2-amine; N-[5-(2-chloroethyl)-2-hydroxy-phenyl]-1-phenyl-benzimidazole-5-carboxamide CAS Name: 2-butanamine; N-[5-(2-chloroethyl)-2-hydroxyphenyl]-1-phenyl-5-benzimidazolecarboxamide IUPAC Name: butan-2-amine; N-[5-(2-chloroethyl)-2-hydroxyphenyl]-1-phenylbenzimidazole-5-carboxamide Traditional Name: N-[5-(2-chloroethyl)-2-hydroxy-phenyl]-1-phenyl-benzimidazole-5-carboxamide; sec-butylamine Formula: C26H29ClN4O2 MolecularWeight: 464.98706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N.C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NC4=C(C=CC(=C4)CCCl)O

Isomeric SMILES

CCC(C)N.C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NC4=C(C=CC(=C4)CCCl)O

InChI

InChI=1S/C22H18ClN3O2.C4H11N/c23-11-10-15-6-9-21(27)19(12-15)25-22(28)16-7-8-20-18(13-16)24-14-26(20)17-4-2-1-3-5-17;1-3-4(2)5/h1-9,12-14,27H,10-11H2,(H,25,28);4H,3,5H2,1-2H3