[1-[4-[1H-benzimidazol-2-yl(isoquinolin-1-ylmethyl)amino]piperidin-1-yl]-3-methyl-butan-2-yl]carbamic acid

Systemtic Name: [1-[4-[1H-benzimidazol-2-yl(isoquinolin-1-ylmethyl)amino]piperidin-1-yl]-3-methyl-butan-2-yl]carbamic acid Openeye Name: [1-[[4-[1H-benzimidazol-2-yl(1-isoquinolylmethyl)amino]-1-piperidyl]methyl]-2-methyl-propyl]carbamic acid CAS Name: [1-[4-[1H-benzimidazol-2-yl(1-isoquinolinylmethyl)amino]-1-piperidinyl]-3-methylbutan-2-yl]carbamic acid IUPAC Name: [1-[4-[1H-benzimidazol-2-yl(isoquinolin-1-ylmethyl)amino]piperidin-1-yl]-3-methylbutan-2-yl]carbamic acid Traditional Name: [1-[[4-[1H-benzimidazol-2-yl(1-isoquinolylmethyl)amino]piperidino]methyl]-2-methyl-propyl]carbamic acid Formula: C28H34N6O2 MolecularWeight: 486.60856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CCC(CC1)N(CC2=NC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5N4)NC(=O)O

Isomeric SMILES

CC(C)C(CN1CCC(CC1)N(CC2=NC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5N4)NC(=O)O

InChI

InChI=1S/C28H34N6O2/c1-19(2)25(32-28(35)36)17-33-15-12-21(13-16-33)34(27-30-23-9-5-6-10-24(23)31-27)18-26-22-8-4-3-7-20(22)11-14-29-26/h3-11,14,19,21,25,32H,12-13,15-18H2,1-2H3,(H,30,31)(H,35,36)