(2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-yl-methyl]-2-methyl-3-(4-naphthalen-1-ylpiperazin-1-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-yl-methyl]-2-methyl-3-(4-naphthalen-1-ylpiperazin-1-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-2-[(S)-(2-methoxyphenyl)-(1-naphthyl)methyl]-2-methyl-3-[4-(1-naphthyl)piperazin-1-yl]-3-oxo-propanenitrile CAS Name: (2S)-2-[(S)-(2-methoxyphenyl)-(1-naphthalenyl)methyl]-2-methyl-3-[4-(1-naphthalenyl)-1-piperazinyl]-3-oxopropanenitrile IUPAC Name: (2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]-2-methyl-3-(4-naphthalen-1-ylpiperazin-1-yl)-3-oxopropanenitrile Traditional Name: (2S)-3-keto-2-[(S)-(2-methoxyphenyl)-(1-naphthyl)methyl]-2-methyl-3-[4-(1-naphthyl)piperazino]propionitrile Formula: C36H33N3O2 MolecularWeight: 539.66612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C(C1=CC=CC=C1OC)C2=CC=CC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C[C@@](C#N)([C@H](C1=CC=CC=C1OC)C2=CC=CC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C36H33N3O2/c1-36(25-37,35(40)39-23-21-38(22-24-39)32-19-10-14-27-12-4-6-16-29(27)32)34(31-17-7-8-20-33(31)41-2)30-18-9-13-26-11-3-5-15-28(26)30/h3-20,34H,21-24H2,1-2H3/t34-,36+/m0/s1