4-[3-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]-3-oxidanylidene-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]-3-oxidanylidene-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-(1-cyclopropyl-1-methyl-ethyl)piperazin-1-yl]-3-oxo-propoxy]benzonitrile CAS Name: 4-[3-[4-(2-cyclopropylpropan-2-yl)-1-piperazinyl]-3-oxopropoxy]benzonitrile IUPAC Name: 4-[3-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]-3-oxopropoxy]benzonitrile Traditional Name: 4-[3-[4-(1-cyclopropyl-1-methyl-ethyl)piperazino]-3-keto-propoxy]benzonitrile Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC1)N2CCN(CC2)C(=O)CCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C1CC1)N2CCN(CC2)C(=O)CCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H27N3O2/c1-20(2,17-5-6-17)23-12-10-22(11-13-23)19(24)9-14-25-18-7-3-16(15-21)4-8-18/h3-4,7-8,17H,5-6,9-14H2,1-2H3