N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-isoquinoline-1-carboxamide

Systemtic Name: N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxy-isoquinoline-1-carboxamide Openeye Name: 5-[(1S)-2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy]-N-methyl-isoquinoline-1-carboxamide CAS Name: 5-[(2S)-1-[(2R)-4-benzoyl-2-methyl-1-piperazinyl]-1-oxopropan-2-yl]oxy-N-methyl-1-isoquinolinecarboxamide IUPAC Name: 5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-N-methylisoquinoline-1-carboxamide Traditional Name: 5-[(1S)-2-[(2R)-4-benzoyl-2-methyl-piperazino]-2-keto-1-methyl-ethoxy]-N-methyl-isoquinoline-1-carboxamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)OC2=CC=CC3=C2C=CN=C3C(=O)NC)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)[C@H](C)OC2=CC=CC3=C2C=CN=C3C(=O)NC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-17-16-29(26(33)19-8-5-4-6-9-19)14-15-30(17)25(32)18(2)34-22-11-7-10-21-20(22)12-13-28-23(21)24(31)27-3/h4-13,17-18H,14-16H2,1-3H3,(H,27,31)/t17-,18+/m1/s1