N-[5-(azepan-1-yl)-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide

Systemtic Name: N-[5-(azepan-1-yl)-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[4-(azepan-1-yl)-3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[5-(1-azepanyl)-4-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: N-[5-(azepan-1-yl)-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: N-[4-(azepan-1-yl)-3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide Formula: C35H44N6O2 MolecularWeight: 580.76286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CN3CCCCCC3)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CN3CCCCCC3)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H44N6O2/c1-26(30-18-12-16-27-13-8-9-17-31(27)30)39-34(42)32(40(2)35(43)28-14-6-5-7-15-28)23-29(38-24-33-36-19-20-37-33)25-41-21-10-3-4-11-22-41/h5-9,12-20,26,29,32,38H,3-4,10-11,21-25H2,1-2H3,(H,36,37)(H,39,42)