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

Systemtic Name: N-[4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-5-(2-phenylpropan-2-ylamino)pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-[(1-methyl-1-phenyl-ethyl)amino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[4-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthalenyl)ethylamino]-1-oxo-5-(2-phenylpropan-2-ylamino)pentan-2-yl]-N-methylbenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxo-5-(2-phenylpropan-2-ylamino)pentan-2-yl]-N-methylbenzamide Traditional Name: N-[4-(cumylamino)-3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide Formula: C38H44N6O2 MolecularWeight: 616.79496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CNC(C)(C)C3=CC=CC=C3)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CNC(C)(C)C3=CC=CC=C3)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C38H44N6O2/c1-27(32-21-13-17-28-14-11-12-20-33(28)32)43-36(45)34(44(4)37(46)29-15-7-5-8-16-29)24-31(41-26-35-39-22-23-40-35)25-42-38(2,3)30-18-9-6-10-19-30/h5-23,27,31,34,41-42H,24-26H2,1-4H3,(H,39,40)(H,43,45)