N-cyclopropyl-4-methyl-3-[7-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[7-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[7-[2-[(2S)-2-methyl-1-piperidyl]ethoxy]-1-oxo-2-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[7-[2-[(2S)-2-methyl-1-piperidinyl]ethoxy]-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[7-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]-1-oxoisoquinolin-2-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-7-[2-[(2S)-2-methylpiperidino]ethoxy]-2-isoquinolyl]-4-methyl-benzamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCOC2=CC3=C(C=C2)C=CN(C3=O)C4=C(C=CC(=C4)C(=O)NC5CC5)C

Isomeric SMILES

C[C@H]1CCCCN1CCOC2=CC3=C(C=C2)C=CN(C3=O)C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C28H33N3O3/c1-19-6-7-22(27(32)29-23-9-10-23)17-26(19)31-14-12-21-8-11-24(18-25(21)28(31)33)34-16-15-30-13-4-3-5-20(30)2/h6-8,11-12,14,17-18,20,23H,3-5,9-10,13,15-16H2,1-2H3,(H,29,32)/t20-/m0/s1