(3S,4S)-4-(hydroxymethyl)-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: (3S,4S)-4-(hydroxymethyl)-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydroisoquinolin-1-one Openeye Name: (3S,4S)-4-(hydroxymethyl)-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydroisoquinolin-1-one CAS Name: (3S,4S)-4-(hydroxymethyl)-3-(1-methyl-2-pyrrolyl)-2-phenethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: (3S,4S)-4-(hydroxymethyl)-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydroisoquinolin-1-one Traditional Name: (3S,4S)-4-methylol-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydroisocarbostyril Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C(C3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)CO

Isomeric SMILES

CN1C=CC=C1[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)CO

InChI

InChI=1S/C23H24N2O2/c1-24-14-7-12-21(24)22-20(16-26)18-10-5-6-11-19(18)23(27)25(22)15-13-17-8-3-2-4-9-17/h2-12,14,20,22,26H,13,15-16H2,1H3/t20-,22-/m0/s1