N-[3-[[2-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-4-chloranyl-benzamide

Systemtic Name: N-[3-[[2-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-4-chloranyl-benzamide Openeye Name: N-[3-[2-(azepan-1-yl)anilino]-3-oxo-propyl]-4-chloro-benzamide CAS Name: N-[3-[2-(1-azepanyl)anilino]-3-oxopropyl]-4-chlorobenzamide IUPAC Name: N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]-4-chlorobenzamide Traditional Name: N-[3-[2-(azepan-1-yl)anilino]-3-keto-propyl]-4-chloro-benzamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c23-18-11-9-17(10-12-18)22(28)24-14-13-21(27)25-19-7-3-4-8-20(19)26-15-5-1-2-6-16-26/h3-4,7-12H,1-2,5-6,13-16H2,(H,24,28)(H,25,27)