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

Systemtic Name: N-[5-(azocan-1-yl)-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[4-(azocan-1-yl)-3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[5-(1-azocanyl)-4-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: N-[5-(azocan-1-yl)-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: N-[4-(azocan-1-yl)-3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide Formula: C36H46N6O2 MolecularWeight: 594.78944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CN3CCCCCCC3)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CN3CCCCCCC3)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H46N6O2/c1-27(31-19-13-17-28-14-9-10-18-32(28)31)40-35(43)33(41(2)36(44)29-15-7-6-8-16-29)24-30(39-25-34-37-20-21-38-34)26-42-22-11-4-3-5-12-23-42/h6-10,13-21,27,30,33,39H,3-5,11-12,22-26H2,1-2H3,(H,37,38)(H,40,43)