4-[4-[4-[(but-3-enylamino)methyl]phenyl]phenyl]carbonylbenzenecarbonitrile hydrochloride

Systemtic Name: 4-[4-[4-[(but-3-enylamino)methyl]phenyl]phenyl]carbonylbenzenecarbonitrile hydrochloride Openeye Name: 4-[4-[4-[(but-3-enylamino)methyl]phenyl]benzoyl]benzonitrile hydrochloride CAS Name: 4-[[4-[4-[(but-3-enylamino)methyl]phenyl]phenyl]-oxomethyl]benzonitrile hydrochloride IUPAC Name: 4-[4-[4-[(but-3-enylamino)methyl]phenyl]benzoyl]benzonitrile hydrochloride Traditional Name: 4-[4-[4-[(but-3-enylamino)methyl]phenyl]benzoyl]benzonitrile hydrochloride Formula: C25H23ClN2O MolecularWeight: 402.91592

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCNCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N.Cl

Isomeric SMILES

C=CCCNCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N.Cl

InChI

InChI=1S/C25H22N2O.ClH/c1-2-3-16-27-18-20-6-8-21(9-7-20)22-12-14-24(15-13-22)25(28)23-10-4-19(17-26)5-11-23;/h2,4-15,27H,1,3,16,18H2;1H