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

Systemtic Name: butan-2-amine; N-[5-(1-chloroethyl)-2-oxidanyl-phenyl]-1-phenyl-benzimidazole-5-carboxamide Openeye Name: butan-2-amine; N-[5-(1-chloroethyl)-2-hydroxy-phenyl]-1-phenyl-benzimidazole-5-carboxamide CAS Name: 2-butanamine; N-[5-(1-chloroethyl)-2-hydroxyphenyl]-1-phenyl-5-benzimidazolecarboxamide IUPAC Name: butan-2-amine; N-[5-(1-chloroethyl)-2-hydroxyphenyl]-1-phenylbenzimidazole-5-carboxamide Traditional Name: N-[5-(1-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.CC(C1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)N(C=N3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCC(C)N.CC(C1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)N(C=N3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O2.C4H11N/c1-14(23)15-8-10-21(27)19(11-15)25-22(28)16-7-9-20-18(12-16)24-13-26(20)17-5-3-2-4-6-17;1-3-4(2)5/h2-14,27H,1H3,(H,25,28);4H,3,5H2,1-2H3