N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3S)-3-ethylpiperazin-1-yl]methyl]-1-oxidanylidene-isoquinolin-6-yl]-5-fluoranyl-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3S)-3-ethylpiperazin-1-yl]methyl]-1-oxidanylidene-isoquinolin-6-yl]-5-fluoranyl-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3S)-3-ethylpiperazin-1-yl]methyl]-1-oxo-6-isoquinolyl]-5-fluoro-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3S)-3-ethyl-1-piperazinyl]methyl]-1-oxo-6-isoquinolinyl]-5-fluoro-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3S)-3-ethylpiperazin-1-yl]methyl]-1-oxoisoquinolin-6-yl]-5-fluoro-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3S)-3-ethylpiperazino]methyl]-1-keto-6-isoquinolyl]-5-fluoro-4-methyl-benzamide Formula: C31H37FN4O2 MolecularWeight: 516.649483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1)CC2=CN(C(=O)C3=C2C=C(C=C3)C4=CC(=CC(=C4C)F)C(=O)NC5CC5)CC6CC6

Isomeric SMILES

CC[C@H]1CN(CCN1)CC2=CN(C(=O)C3=C2C=C(C=C3)C4=CC(=CC(=C4C)F)C(=O)NC5CC5)CC6CC6

InChI

InChI=1S/C31H37FN4O2/c1-3-24-18-35(11-10-33-24)16-23-17-36(15-20-4-5-20)31(38)26-9-6-21(12-28(23)26)27-13-22(14-29(32)19(27)2)30(37)34-25-7-8-25/h6,9,12-14,17,20,24-25,33H,3-5,7-8,10-11,15-16,18H2,1-2H3,(H,34,37)/t24-/m0/s1