4-[3-(1-phenylethylamino)cyclohexa-2,4-dien-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(1-phenylethylamino)cyclohexa-2,4-dien-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(1-phenylethylamino)cyclohexa-2,4-dien-1-yl]benzonitrile CAS Name: 4-[3-(1-phenylethylamino)-1-cyclohexa-2,4-dienyl]benzonitrile IUPAC Name: 4-[3-(1-phenylethylamino)cyclohexa-2,4-dien-1-yl]benzonitrile Traditional Name: 4-[3-(1-phenylethylamino)cyclohexa-2,4-dien-1-yl]benzonitrile Formula: C21H20N2 MolecularWeight: 300.3969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=CC(CC=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=CC(CC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N2/c1-16(18-6-3-2-4-7-18)23-21-9-5-8-20(14-21)19-12-10-17(15-22)11-13-19/h2-7,9-14,16,20,23H,8H2,1H3