N-[4-(1H-imidazol-2-ylmethylamino)-5-[(3-methylphenyl)methylamino]-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide

Systemtic Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(3-methylphenyl)methylamino]-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-(m-tolylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(3-methylphenyl)methylamino]-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(3-methylphenyl)methylamino]-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-[(3-methylbenzyl)amino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide Formula: C37H42N6O2 MolecularWeight: 602.76838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNCC(CC(C(=O)NC(C)C2=CC=CC3=CC=CC=C32)N(C)C(=O)C4=CC=CC=C4)NCC5=NC=CN5

Isomeric SMILES

CC1=CC(=CC=C1)CNCC(CC(C(=O)NC(C)C2=CC=CC3=CC=CC=C32)N(C)C(=O)C4=CC=CC=C4)NCC5=NC=CN5

InChI

InChI=1S/C37H42N6O2/c1-26-11-9-12-28(21-26)23-38-24-31(41-25-35-39-19-20-40-35)22-34(43(3)37(45)30-14-5-4-6-15-30)36(44)42-27(2)32-18-10-16-29-13-7-8-17-33(29)32/h4-21,27,31,34,38,41H,22-25H2,1-3H3,(H,39,40)(H,42,44)