1-[3-[4-(2-azanylpropanoyl)piperazin-1-yl]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 1-[3-[4-(2-azanylpropanoyl)piperazin-1-yl]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-[3-[4-(2-aminopropanoyl)piperazin-1-yl]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile CAS Name: 1-[3-[4-(2-amino-1-oxopropyl)-1-piperazinyl]propoxy]-4-phenyl-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-[3-[4-(2-aminopropanoyl)piperazin-1-yl]propoxy]-4-phenylcyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-[3-(4-alanylpiperazino)propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCCOC2(C=CC(C=C2)C3=CC=CC=C3)C#N)N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CCCOC2(C=CC(C=C2)C3=CC=CC=C3)C#N)N

InChI

InChI=1S/C23H30N4O2/c1-19(25)22(28)27-15-13-26(14-16-27)12-5-17-29-23(18-24)10-8-21(9-11-23)20-6-3-2-4-7-20/h2-4,6-11,19,21H,5,12-17,25H2,1H3