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

Systemtic Name: N-cyclopropyl-4-methyl-3-[1-oxidanylidene-7-(2-piperidin-1-ylethoxy)isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[1-oxo-7-[2-(1-piperidyl)ethoxy]-2-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[1-oxo-7-[2-(1-piperidinyl)ethoxy]-2-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[1-oxo-7-(2-piperidin-1-ylethoxy)isoquinolin-2-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-7-(2-piperidinoethoxy)-2-isoquinolyl]-4-methyl-benzamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C27H31N3O3/c1-19-5-6-21(26(31)28-22-8-9-22)17-25(19)30-14-11-20-7-10-23(18-24(20)27(30)32)33-16-15-29-12-3-2-4-13-29/h5-7,10-11,14,17-18,22H,2-4,8-9,12-13,15-16H2,1H3,(H,28,31)