4-[5-azanyl-3-cyclopropyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[5-azanyl-3-cyclopropyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]pyrazol-1-yl]benzenecarbonitrile Openeye Name: 4-[5-amino-3-cyclopropyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]pyrazol-1-yl]benzonitrile CAS Name: 4-[5-amino-3-cyclopropyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]methyl]-1-pyrazolyl]benzonitrile IUPAC Name: 4-[5-amino-3-cyclopropyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]pyrazol-1-yl]benzonitrile Traditional Name: 4-[5-amino-3-cyclopropyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]methyl]pyrazol-1-yl]benzonitrile Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2CN3CCN(CC3)C4=C5C(=CC=C4)OCCO5)N)C6=CC=C(C=C6)C#N

Isomeric SMILES

C1CC1C2=NN(C(=C2CN3CCN(CC3)C4=C5C(=CC=C4)OCCO5)N)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C26H28N6O2/c27-16-18-4-8-20(9-5-18)32-26(28)21(24(29-32)19-6-7-19)17-30-10-12-31(13-11-30)22-2-1-3-23-25(22)34-15-14-33-23/h1-5,8-9,19H,6-7,10-15,17,28H2