4-[4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(4-cyanobenzyl)piperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H26N4O3/c1-30-23-15-21(17-26)8-9-22(23)31-14-2-3-24(29)28-12-10-27(11-13-28)18-20-6-4-19(16-25)5-7-20/h4-9,15H,2-3,10-14,18H2,1H3