[1-[(3-oxidanylpyrrolidin-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(9H-xanthen-9-yl)methanone

Systemtic Name: [1-[(3-oxidanylpyrrolidin-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(9H-xanthen-9-yl)methanone Openeye Name: [1-[(3-hydroxypyrrolidin-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(9H-xanthen-9-yl)methanone CAS Name: [1-[(3-hydroxy-1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(9H-xanthen-9-yl)methanone IUPAC Name: [1-[(3-hydroxypyrrolidin-1-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(9H-xanthen-9-yl)methanone Traditional Name: [1-[(3-hydroxypyrrolidino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(9H-xanthen-9-yl)methanone Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)CC2C3=CC=CC=C3CCN2C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

C1CN(CC1O)CC2C3=CC=CC=C3CCN2C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C28H28N2O3/c31-20-14-15-29(17-20)18-24-21-8-2-1-7-19(21)13-16-30(24)28(32)27-22-9-3-5-11-25(22)33-26-12-6-4-10-23(26)27/h1-12,20,24,27,31H,13-18H2