3-methoxy-4-[3-[3-methyl-4-(phenylcarbonyl)phenyl]prop-2-ynylamino]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[3-[3-methyl-4-(phenylcarbonyl)phenyl]prop-2-ynylamino]benzenecarbonitrile Openeye Name: 4-[3-(4-benzoyl-3-methyl-phenyl)prop-2-ynylamino]-3-methoxy-benzonitrile CAS Name: 4-[3-(4-benzoyl-3-methylphenyl)prop-2-ynylamino]-3-methoxybenzonitrile IUPAC Name: 4-[3-(4-benzoyl-3-methylphenyl)prop-2-ynylamino]-3-methoxybenzonitrile Traditional Name: 4-[3-(4-benzoyl-3-methyl-phenyl)prop-2-ynylamino]-3-methoxy-benzonitrile Formula: C25H20N2O2 MolecularWeight: 380.4385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=C(C=C(C=C2)C#N)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=C(C=C(C=C2)C#N)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H20N2O2/c1-18-15-19(10-12-22(18)25(28)21-8-4-3-5-9-21)7-6-14-27-23-13-11-20(17-26)16-24(23)29-2/h3-5,8-13,15-16,27H,14H2,1-2H3