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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C22H24ClN3O3/c23-16-9-10-19-20(15-16)29-22(28)26(19)14-11-21(27)24-17-7-3-4-8-18(17)25-12-5-1-2-6-13-25/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,24,27)