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

Systemtic Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(2-methoxyphenyl)methylamino]-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-[(2-methoxyphenyl)methylamino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(2-methoxyphenyl)methylamino]-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(2-methoxyphenyl)methylamino]-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: N-[3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]-4-(o-anisylamino)butyl]-N-methyl-benzamide Formula: C37H42N6O3 MolecularWeight: 618.76778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CNCC3=CC=CC=C3OC)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CNCC3=CC=CC=C3OC)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C37H42N6O3/c1-26(31-18-11-16-27-12-7-9-17-32(27)31)42-36(44)33(43(2)37(45)28-13-5-4-6-14-28)22-30(41-25-35-39-20-21-40-35)24-38-23-29-15-8-10-19-34(29)46-3/h4-21,26,30,33,38,41H,22-25H2,1-3H3,(H,39,40)(H,42,44)