2-phenethyl-8-phenyl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline-5-carbonitrile

Systemtic Name: 2-phenethyl-8-phenyl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline-5-carbonitrile Openeye Name: 2-phenethyl-8-phenyl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline-5-carbonitrile CAS Name: 2-phenethyl-8-phenyl-6-(1-pyrrolidinyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile IUPAC Name: 2-phenethyl-8-phenyl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline-5-carbonitrile Traditional Name: 2-phenethyl-8-phenyl-6-pyrrolidino-3,4-dihydro-1H-isoquinoline-5-carbonitrile Formula: C28H29N3 MolecularWeight: 407.54996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=C(CN(CC3)CCC4=CC=CC=C4)C(=C2)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C3=C(CN(CC3)CCC4=CC=CC=C4)C(=C2)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H29N3/c29-20-26-24-14-18-30(17-13-22-9-3-1-4-10-22)21-27(24)25(23-11-5-2-6-12-23)19-28(26)31-15-7-8-16-31/h1-6,9-12,19H,7-8,13-18,21H2