(3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-(1-piperidylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: (3S,4R)-3-(1-methyl-2-pyrrolyl)-2-phenethyl-4-(1-piperidinylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-(piperidinomethyl)-3,4-dihydro-1H-isoquinoline Formula: C28H35N3 MolecularWeight: 413.5976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C(C3=CC=CC=C3CN2CCC4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

CN1C=CC=C1[C@@H]2[C@H](C3=CC=CC=C3CN2CCC4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C28H35N3/c1-29-17-10-15-27(29)28-26(22-30-18-8-3-9-19-30)25-14-7-6-13-24(25)21-31(28)20-16-23-11-4-2-5-12-23/h2,4-7,10-15,17,26,28H,3,8-9,16,18-22H2,1H3/t26-,28-/m0/s1