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

Systemtic Name: N-[5-[(2-ethylphenyl)methylamino]-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[4-[(2-ethylphenyl)methylamino]-3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[5-[(2-ethylphenyl)methylamino]-4-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: N-[5-[(2-ethylphenyl)methylamino]-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: N-[4-[(2-ethylbenzyl)amino]-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:

CCC1=CC=CC=C1CNCC(CC(C(=O)NC(C)C2=CC=CC3=CC=CC=C32)N(C)C(=O)C4=CC=CC=C4)NCC5=NC=CN5

Isomeric SMILES

CCC1=CC=CC=C1CNCC(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/C38H44N6O2/c1-4-28-13-8-9-17-31(28)24-39-25-32(42-26-36-40-21-22-41-36)23-35(44(3)38(46)30-15-6-5-7-16-30)37(45)43-27(2)33-20-12-18-29-14-10-11-19-34(29)33/h5-22,27,32,35,39,42H,4,23-26H2,1-3H3,(H,40,41)(H,43,45)