N-(2-cyanophenyl)-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]propanamide

Systemtic Name: N-(2-cyanophenyl)-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]propanamide Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-cyanophenyl)propanamide CAS Name: N-(2-cyanophenyl)-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]propanamide IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-cyanophenyl)propanamide Traditional Name: 2-[4-(4-benzylpiperazino)anilino]-N-(2-cyanophenyl)propionamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O/c1-21(27(33)30-26-10-6-5-9-23(26)19-28)29-24-11-13-25(14-12-24)32-17-15-31(16-18-32)20-22-7-3-2-4-8-22/h2-14,21,29H,15-18,20H2,1H3,(H,30,33)