1-[2-[4-(2-azanylpropanoyl)piperazin-1-yl]ethoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 1-[2-[4-(2-azanylpropanoyl)piperazin-1-yl]ethoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-[2-[4-(2-aminopropanoyl)piperazin-1-yl]ethoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile CAS Name: 1-[2-[4-(2-amino-1-oxopropyl)-1-piperazinyl]ethoxy]-4-phenyl-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-[2-[4-(2-aminopropanoyl)piperazin-1-yl]ethoxy]-4-phenylcyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-[2-(4-alanylpiperazino)ethoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCOC2(C=CC(C=C2)C3=CC=CC=C3)C#N)N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CCOC2(C=CC(C=C2)C3=CC=CC=C3)C#N)N

InChI

InChI=1S/C22H28N4O2/c1-18(24)21(27)26-13-11-25(12-14-26)15-16-28-22(17-23)9-7-20(8-10-22)19-5-3-2-4-6-19/h2-10,18,20H,11-16,24H2,1H3