N-[1-[3,4-bis(fluoranyl)phenyl]carbonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[1-[3,4-bis(fluoranyl)phenyl]carbonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[1-(3,4-difluorobenzoyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-[(3,4-difluorophenyl)-oxomethyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[1-(3,4-difluorobenzoyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H23F2N3O2 MolecularWeight: 399.433726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)N2CCC3=CC=CC=C3C2)C(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC1NC(=O)N2CCC3=CC=CC=C3C2)C(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C22H23F2N3O2/c23-19-6-5-16(13-20(19)24)21(28)26-11-8-18(9-12-26)25-22(29)27-10-7-15-3-1-2-4-17(15)14-27/h1-6,13,18H,7-12,14H2,(H,25,29)