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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=CC3=C(C=C2)C(=O)N(C=C3CN4CCCNCC4)CC5CC5)C(=O)NC6CC6)F

Isomeric SMILES

CC1=C(C=C(C=C1C2=CC3=C(C=C2)C(=O)N(C=C3CN4CCCNCC4)CC5CC5)C(=O)NC6CC6)F

InChI

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