N-[3-(benzimidazol-1-yl)propyl]-3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCCNC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCCNC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C20H19ClN4O3/c21-14-6-7-17-18(12-14)28-20(27)25(17)11-8-19(26)22-9-3-10-24-13-23-15-4-1-2-5-16(15)24/h1-2,4-7,12-13H,3,8-11H2,(H,22,26)