2-azanyl-3-[2-[[5-(cycloheptylamino)-5-oxidanylidene-pentyl]-(phenylmethyl)amino]ethoxy]benzamide

Systemtic Name: 2-azanyl-3-[2-[[5-(cycloheptylamino)-5-oxidanylidene-pentyl]-(phenylmethyl)amino]ethoxy]benzamide Openeye Name: 2-amino-3-[2-[benzyl-[5-(cycloheptylamino)-5-oxo-pentyl]amino]ethoxy]benzamide CAS Name: 2-amino-3-[2-[[5-(cycloheptylamino)-5-oxopentyl]-(phenylmethyl)amino]ethoxy]benzamide IUPAC Name: 2-amino-3-[2-[benzyl-[5-(cycloheptylamino)-5-oxopentyl]amino]ethoxy]benzamide Traditional Name: 2-amino-3-[2-[benzyl-[5-(cycloheptylamino)-5-keto-pentyl]amino]ethoxy]benzamide Formula: C28H40N4O3 MolecularWeight: 480.6422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCCCN(CCOC2=CC=CC(=C2N)C(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCCCN(CCOC2=CC=CC(=C2N)C(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C28H40N4O3/c29-27-24(28(30)34)15-10-16-25(27)35-20-19-32(21-22-11-4-3-5-12-22)18-9-8-17-26(33)31-23-13-6-1-2-7-14-23/h3-5,10-12,15-16,23H,1-2,6-9,13-14,17-21,29H2,(H2,30,34)(H,31,33)