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

Systemtic Name: N-[4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-5-[(3-propoxypyridin-2-yl)methylamino]pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]-4-[(3-propoxy-2-pyridyl)methylamino]butyl]-N-methyl-benzamide CAS Name: N-[4-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthalenyl)ethylamino]-1-oxo-5-[(3-propoxy-2-pyridinyl)methylamino]pentan-2-yl]-N-methylbenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxo-5-[(3-propoxypyridin-2-yl)methylamino]pentan-2-yl]-N-methylbenzamide Traditional Name: N-[3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]-4-[(3-propoxy-2-pyridyl)methylamino]butyl]-N-methyl-benzamide Formula: C38H45N7O3 MolecularWeight: 647.809

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N=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

CCCOC1=C(N=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/C38H45N7O3/c1-4-22-48-35-18-11-19-40-33(35)25-39-24-30(43-26-36-41-20-21-42-36)23-34(45(3)38(47)29-13-6-5-7-14-29)37(46)44-27(2)31-17-10-15-28-12-8-9-16-32(28)31/h5-21,27,30,34,39,43H,4,22-26H2,1-3H3,(H,41,42)(H,44,46)