N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-[4-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-[4-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine Openeye Name: N-(isochroman-1-ylmethyl)-1-[4-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-1-[4-(1H-pyrazol-5-yl)phenyl]-4-piperidinamine IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-[4-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine Traditional Name: isochroman-1-ylmethyl-[1-[4-(1H-pyrazol-5-yl)phenyl]-4-piperidyl]amine Formula: C24H28N4O MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2C3=CC=CC=C3CCO2)C4=CC=C(C=C4)C5=CC=NN5

Isomeric SMILES

C1CN(CCC1NCC2C3=CC=CC=C3CCO2)C4=CC=C(C=C4)C5=CC=NN5

InChI

InChI=1S/C24H28N4O/c1-2-4-22-18(3-1)12-16-29-24(22)17-25-20-10-14-28(15-11-20)21-7-5-19(6-8-21)23-9-13-26-27-23/h1-9,13,20,24-25H,10-12,14-17H2,(H,26,27)