4-[4-(4-cyclopropylcarbonylpiperazin-1-yl)-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-(4-cyclopropylcarbonylpiperazin-1-yl)-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(cyclopropanecarbonyl)piperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C20H25N3O4/c1-26-18-13-15(14-21)4-7-17(18)27-12-2-3-19(24)22-8-10-23(11-9-22)20(25)16-5-6-16/h4,7,13,16H,2-3,5-6,8-12H2,1H3