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

Systemtic Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1-oxidanylidene-isoquinolin-6-yl]-5-fluoranyl-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1-oxo-6-isoquinolyl]-5-fluoro-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3R)-3-methyl-1-piperazinyl]methyl]-1-oxo-6-isoquinolinyl]-5-fluoro-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1-oxoisoquinolin-6-yl]-5-fluoro-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[2-(cyclopropylmethyl)-1-keto-4-[[(3R)-3-methylpiperazino]methyl]-6-isoquinolyl]-5-fluoro-4-methyl-benzamide Formula: C30H35FN4O2 MolecularWeight: 502.622903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=CN(C(=O)C3=C2C=C(C=C3)C4=CC(=CC(=C4C)F)C(=O)NC5CC5)CC6CC6

Isomeric SMILES

C[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/C30H35FN4O2/c1-18-14-34(10-9-32-18)16-23-17-35(15-20-3-4-20)30(37)25-8-5-21(11-27(23)25)26-12-22(13-28(31)19(26)2)29(36)33-24-6-7-24/h5,8,11-13,17-18,20,24,32H,3-4,6-7,9-10,14-16H2,1-2H3,(H,33,36)/t18-/m1/s1