2,6-bis(cyano-morpholin-4-yl-phenyl-methyl)benzenecarbonitrile

Systemtic Name: 2,6-bis(cyano-morpholin-4-yl-phenyl-methyl)benzenecarbonitrile Openeye Name: 2,6-bis(cyano-morpholino-phenyl-methyl)benzonitrile CAS Name: 2,6-bis[cyano-(4-morpholinyl)-phenylmethyl]benzonitrile IUPAC Name: 2,6-bis(cyano-morpholin-4-yl-phenylmethyl)benzonitrile Traditional Name: 2,6-bis(cyano-morpholino-phenyl-methyl)benzonitrile Formula: C31H29N5O2 MolecularWeight: 503.59426

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(C#N)(C2=CC=CC=C2)C3=C(C(=CC=C3)C(C#N)(C4=CC=CC=C4)N5CCOCC5)C#N

Isomeric SMILES

C1COCCN1C(C#N)(C2=CC=CC=C2)C3=C(C(=CC=C3)C(C#N)(C4=CC=CC=C4)N5CCOCC5)C#N

InChI

InChI=1S/C31H29N5O2/c32-22-27-28(30(23-33,25-8-3-1-4-9-25)35-14-18-37-19-15-35)12-7-13-29(27)31(24-34,26-10-5-2-6-11-26)36-16-20-38-21-17-36/h1-13H,14-21H2