(2R)-2-[5-[2-(1-adamantyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[5-[2-(1-adamantyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxo-2-isoquinolyl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[5-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxoisoquinolin-2-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-keto-2-isoquinolyl]-N-cyclopropyl-propionamide Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C[C@H](C(=O)NC1CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H33N3O3/c1-16(25(32)28-20-5-6-20)30-8-7-21-22(26(30)33)3-2-4-23(21)29-24(31)15-27-12-17-9-18(13-27)11-19(10-17)14-27/h2-4,7-8,16-20H,5-6,9-15H2,1H3,(H,28,32)(H,29,31)/t16-,17?,18?,19?,27?/m1/s1