4-[4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C24H34N4O4/c1-31-22-17-20(18-25)8-9-21(22)32-16-6-7-23(29)28-14-12-26(13-15-28)19-24(30)27-10-4-2-3-5-11-27/h8-9,17H,2-7,10-16,19H2,1H3