N-[11-(3-chloranylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-pentanamide

Systemtic Name: N-[11-(3-chloranylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-pentanamide Openeye Name: N-[11-(3-chloropropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-pentanamide CAS Name: N-[11-(3-chloro-1-oxopropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propylpentanamide IUPAC Name: N-[11-(3-chloropropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propylpentanamide Traditional Name: N-[11-(3-chloropropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propyl-valeramide Formula: C25H31ClN2O2 MolecularWeight: 426.97884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCCl)C=C1

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCCl)C=C1

InChI

InChI=1S/C25H31ClN2O2/c1-3-7-20(8-4-2)25(30)27-21-14-13-19-12-11-18-9-5-6-10-22(18)28(23(19)17-21)24(29)15-16-26/h5-6,9-10,13-14,17,20H,3-4,7-8,11-12,15-16H2,1-2H3,(H,27,30)