N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(isoquinolin-1-ylmethoxy)pyrimidine-5-carboxamide

Systemtic Name: N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(isoquinolin-1-ylmethoxy)pyrimidine-5-carboxamide Openeye Name: N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(1-isoquinolylmethoxy)pyrimidine-5-carboxamide CAS Name: N-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-2-(1-isoquinolinylmethoxy)-5-pyrimidinecarboxamide IUPAC Name: N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(isoquinolin-1-ylmethoxy)pyrimidine-5-carboxamide Traditional Name: N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-(1-isoquinolylmethoxy)pyrimidine-5-carboxamide Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)C3=CN=C(N=C3)OCC4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)C3=CN=C(N=C3)OCC4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C26H23N5O3/c1-16-6-7-18(24(32)30-20-8-9-20)12-22(16)31-25(33)19-13-28-26(29-14-19)34-15-23-21-5-3-2-4-17(21)10-11-27-23/h2-7,10-14,20H,8-9,15H2,1H3,(H,30,32)(H,31,33)