3-[[1-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-thiophen-3-yl-azetidin-3-yl]-naphthalen-1-yl-amino]propanenitrile

Systemtic Name: 3-[[1-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-thiophen-3-yl-azetidin-3-yl]-naphthalen-1-yl-amino]propanenitrile Openeye Name: 3-[[1-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3-thienyl)azetidin-3-yl]-(1-naphthyl)amino]propanenitrile CAS Name: 3-[[1-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-(3-thiophenyl)-3-azetidinyl]-(1-naphthalenyl)amino]propanenitrile IUPAC Name: 3-[[1-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thiophen-3-ylazetidin-3-yl]-naphthalen-1-ylamino]propanenitrile Traditional Name: 3-[[1-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3-thienyl)azetidin-3-yl]-(1-naphthyl)amino]propionitrile Formula: C31H30N4O2S MolecularWeight: 522.6605

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)C(=O)N3CC(C3C4=CSC=C4)N(CCC#N)C5=CC=CC6=CC=CC=C65)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)C(=O)N3CC(C3C4=CSC=C4)N(CCC#N)C5=CC=CC6=CC=CC=C65)C=C1

InChI

InChI=1S/C31H30N4O2S/c1-37-26-11-10-24-19-33(16-12-23(24)18-26)31(36)35-20-29(30(35)25-13-17-38-21-25)34(15-5-14-32)28-9-4-7-22-6-2-3-8-27(22)28/h2-4,6-11,13,17-18,21,29-30H,5,12,15-16,19-20H2,1H3