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

Systemtic Name: N-[4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-[(2-isopropoxyphenyl)methylamino]-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-propan-2-yloxyphenyl)methylamino]pentan-2-yl]-N-methylbenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxo-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-2-yl]-N-methylbenzamide Traditional Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-[(2-isopropoxybenzyl)amino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide Formula: C39H46N6O3 MolecularWeight: 646.82094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=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

CC(C)OC1=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/C39H46N6O3/c1-27(2)48-36-20-11-9-16-31(36)24-40-25-32(43-26-37-41-21-22-42-37)23-35(45(4)39(47)30-14-6-5-7-15-30)38(46)44-28(3)33-19-12-17-29-13-8-10-18-34(29)33/h5-22,27-28,32,35,40,43H,23-26H2,1-4H3,(H,41,42)(H,44,46)