N-cyclopropyl-3-[2-(2,2-dimethyl-3-oxidanyl-propyl)-1-oxidanylidene-4-(1-piperazin-1-ylethyl)isoquinolin-6-yl]-5-fluoranyl-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[2-(2,2-dimethyl-3-oxidanyl-propyl)-1-oxidanylidene-4-(1-piperazin-1-ylethyl)isoquinolin-6-yl]-5-fluoranyl-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethyl-propyl)-1-oxo-4-(1-piperazin-1-ylethyl)-6-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-4-[1-(1-piperazinyl)ethyl]-6-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-4-(1-piperazin-1-ylethyl)isoquinolin-6-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethyl-propyl)-1-keto-4-(1-piperazinoethyl)-6-isoquinolyl]-4-methyl-benzamide Formula: C31H39FN4O3 MolecularWeight: 534.664763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=CC3=C(C=C2)C(=O)N(C=C3C(C)N4CCNCC4)CC(C)(C)CO)C(=O)NC5CC5)F

Isomeric SMILES

CC1=C(C=C(C=C1C2=CC3=C(C=C2)C(=O)N(C=C3C(C)N4CCNCC4)CC(C)(C)CO)C(=O)NC5CC5)F

InChI

InChI=1S/C31H39FN4O3/c1-19-25(14-22(15-28(19)32)29(38)34-23-6-7-23)21-5-8-24-26(13-21)27(20(2)35-11-9-33-10-12-35)16-36(30(24)39)17-31(3,4)18-37/h5,8,13-16,20,23,33,37H,6-7,9-12,17-18H2,1-4H3,(H,34,38)