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

Systemtic Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(1H-imidazol-2-ylmethylamino)-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-imidazol-2-ylmethylamino)-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide Formula: C38H42N6O2 MolecularWeight: 614.77908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CN3CCC4=CC=CC=C4C3)NCC5=NC=CN5)N(C)C(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CN3CCC4=CC=CC=C4C3)NCC5=NC=CN5)N(C)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C38H42N6O2/c1-27(33-18-10-16-29-12-8-9-17-34(29)33)42-37(45)35(43(2)38(46)30-13-4-3-5-14-30)23-32(41-24-36-39-20-21-40-36)26-44-22-19-28-11-6-7-15-31(28)25-44/h3-18,20-21,27,32,35,41H,19,22-26H2,1-2H3,(H,39,40)(H,42,45)