N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide

Systemtic Name: N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-7-oxidanyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Openeye Name: N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide CAS Name: N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-2-methyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoquinoline-4-carboxamide IUPAC Name: N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Traditional Name: N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-2-methyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-isoquinoline-4-carboxamide Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4=CC=C(C=C4)CN5CCCC5)C

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4=CC=C(C=C4)CN5CCCC5)C

InChI

InChI=1S/C27H30N4O3/c1-17-25(18(2)34-29-17)28-27(33)24-16-30(3)26(23-14-21(32)10-11-22(23)24)20-8-6-19(7-9-20)15-31-12-4-5-13-31/h6-11,14,16,26,32H,4-5,12-13,15H2,1-3H3,(H,28,33)