N-cyclopropyl-3-[7-(1-ethylpiperidin-4-yl)oxy-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[7-(1-ethylpiperidin-4-yl)oxy-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[7-[(1-ethyl-4-piperidyl)oxy]-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[7-[(1-ethyl-4-piperidinyl)oxy]-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[7-(1-ethylpiperidin-4-yl)oxy-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[7-[(1-ethyl-4-piperidyl)oxy]-1-keto-2-isoquinolyl]-4-methyl-benzamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)OC2=CC3=C(C=C2)C=CN(C3=O)C4=C(C=CC(=C4)C(=O)NC5CC5)C

Isomeric SMILES

CCN1CCC(CC1)OC2=CC3=C(C=C2)C=CN(C3=O)C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C27H31N3O3/c1-3-29-13-11-22(12-14-29)33-23-9-6-19-10-15-30(27(32)24(19)17-23)25-16-20(5-4-18(25)2)26(31)28-21-7-8-21/h4-6,9-10,15-17,21-22H,3,7-8,11-14H2,1-2H3,(H,28,31)