3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-phenylazanylpyrimidin-2-yl)piperidin-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-phenylazanylpyrimidin-2-yl)piperidin-4-yl]methanone Openeye Name: [1-(4-anilinopyrimidin-2-yl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-(4-anilino-2-pyrimidinyl)-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-(4-anilinopyrimidin-2-yl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-(4-anilinopyrimidin-2-yl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=NC=CC(=N4)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)C4=NC=CC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c31-24(30-17-11-19-6-4-5-7-21(19)18-30)20-12-15-29(16-13-20)25-26-14-10-23(28-25)27-22-8-2-1-3-9-22/h1-10,14,20H,11-13,15-18H2,(H,26,27,28)