4-[4-[bis(phenylmethyl)amino]phenoxy]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[4-[bis(phenylmethyl)amino]phenoxy]-3-chloranyl-benzenecarbonitrile Openeye Name: 3-chloro-4-[4-(dibenzylamino)phenoxy]benzonitrile CAS Name: 4-[4-[bis(phenylmethyl)amino]phenoxy]-3-chlorobenzonitrile IUPAC Name: 3-chloro-4-[4-(dibenzylamino)phenoxy]benzonitrile Traditional Name: 3-chloro-4-[4-(dibenzylamino)phenoxy]benzonitrile Formula: C27H21ClN2O MolecularWeight: 424.92144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C27H21ClN2O/c28-26-17-23(18-29)11-16-27(26)31-25-14-12-24(13-15-25)30(19-21-7-3-1-4-8-21)20-22-9-5-2-6-10-22/h1-17H,19-20H2