1-aminocarbonyl-3-[azanyl(isoquinolin-6-yl)methyl]-1-(azetidin-1-ylcarbonyl)-3,4-dihydroisoquinoline-2-carboxylic acid

Systemtic Name: 1-aminocarbonyl-3-[azanyl(isoquinolin-6-yl)methyl]-1-(azetidin-1-ylcarbonyl)-3,4-dihydroisoquinoline-2-carboxylic acid Openeye Name: 3-[amino(6-isoquinolyl)methyl]-1-(azetidine-1-carbonyl)-1-carbamoyl-3,4-dihydroisoquinoline-2-carboxylic acid CAS Name: 3-[amino(6-isoquinolinyl)methyl]-1-[1-azetidinyl(oxo)methyl]-1-carbamoyl-3,4-dihydroisoquinoline-2-carboxylic acid IUPAC Name: 3-[amino(isoquinolin-6-yl)methyl]-1-(azetidine-1-carbonyl)-1-carbamoyl-3,4-dihydroisoquinoline-2-carboxylic acid Traditional Name: 3-[amino(6-isoquinolyl)methyl]-1-(azetidine-1-carbonyl)-1-carbamoyl-3,4-dihydroisoquinoline-2-carboxylic acid Formula: C25H25N5O4 MolecularWeight: 459.4971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)C2(C3=CC=CC=C3CC(N2C(=O)O)C(C4=CC5=C(C=C4)C=NC=C5)N)C(=O)N

Isomeric SMILES

C1CN(C1)C(=O)C2(C3=CC=CC=C3CC(N2C(=O)O)C(C4=CC5=C(C=C4)C=NC=C5)N)C(=O)N

InChI

InChI=1S/C25H25N5O4/c26-21(17-6-7-18-14-28-9-8-15(18)12-17)20-13-16-4-1-2-5-19(16)25(22(27)31,30(20)24(33)34)23(32)29-10-3-11-29/h1-2,4-9,12,14,20-21H,3,10-11,13,26H2,(H2,27,31)(H,33,34)