4-[[1-(3-methoxyphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]ethoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(3-methoxyphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]ethoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[1-(3-methoxyphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]ethoxy]methyl]benzonitrile CAS Name: 4-[[1-(3-methoxyphenyl)-2-[4-(1-oxo-2-phenoxypropyl)-1-piperazinyl]ethoxy]methyl]benzonitrile IUPAC Name: 4-[[1-(3-methoxyphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]ethoxy]methyl]benzonitrile Traditional Name: 4-[[1-(3-methoxyphenyl)-2-[4-(2-phenoxypropanoyl)piperazino]ethoxy]methyl]benzonitrile Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC(C2=CC(=CC=C2)OC)OCC3=CC=C(C=C3)C#N)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC(C2=CC(=CC=C2)OC)OCC3=CC=C(C=C3)C#N)OC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O4/c1-23(37-27-8-4-3-5-9-27)30(34)33-17-15-32(16-18-33)21-29(26-7-6-10-28(19-26)35-2)36-22-25-13-11-24(20-31)12-14-25/h3-14,19,23,29H,15-18,21-22H2,1-2H3