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

Systemtic Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-(2-methylpropylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-(isobutylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-(2-methylpropylamino)-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-(2-methylpropylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-(isobutylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide Formula: C33H42N6O2 MolecularWeight: 554.72558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42N6O2/c1-23(2)20-34-21-27(37-22-31-35-17-18-36-31)19-30(39(4)33(41)26-12-6-5-7-13-26)32(40)38-24(3)28-16-10-14-25-11-8-9-15-29(25)28/h5-18,23-24,27,30,34,37H,19-22H2,1-4H3,(H,35,36)(H,38,40)