(3R)-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[1-[(E)-3-phenylacryloyl]isonipecotoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC3=CC=CC=C3CC2C(=O)N)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c26-24(30)22-16-20-8-4-5-9-21(20)17-28(22)25(31)19-12-14-27(15-13-19)23(29)11-10-18-6-2-1-3-7-18/h1-11,19,22H,12-17H2,(H2,26,30)/b11-10+/t22-/m1/s1