5-[(2S)-1-[(2R)-4-isoquinolin-1-yl-2-methyl-piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-4-methoxy-N-methyl-pyridine-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(2R)-4-isoquinolin-1-yl-2-methyl-piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-4-methoxy-N-methyl-pyridine-2-carboxamide Openeye Name: 5-[(1S)-2-[(2R)-4-(1-isoquinolyl)-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy]-4-methoxy-N-methyl-pyridine-2-carboxamide CAS Name: 5-[(2S)-1-[(2R)-4-(1-isoquinolinyl)-2-methyl-1-piperazinyl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methyl-2-pyridinecarboxamide IUPAC Name: 5-[(2S)-1-[(2R)-4-isoquinolin-1-yl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide Traditional Name: 5-[(1S)-2-[(2R)-4-(1-isoquinolyl)-2-methyl-piperazino]-2-keto-1-methyl-ethoxy]-4-methoxy-N-methyl-picolinamide Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)OC2=CN=C(C=C2OC)C(=O)NC)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)[C@H](C)OC2=CN=C(C=C2OC)C(=O)NC)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C25H29N5O4/c1-16-15-29(23-19-8-6-5-7-18(19)9-10-27-23)11-12-30(16)25(32)17(2)34-22-14-28-20(24(31)26-3)13-21(22)33-4/h5-10,13-14,16-17H,11-12,15H2,1-4H3,(H,26,31)/t16-,17+/m1/s1