N-[4-[4-[1,3-benzoxazol-2-yl(phenyl)methyl]piperazin-1-yl]-3-cyano-phenyl]-2-ethyl-butanamide

Systemtic Name: N-[4-[4-[1,3-benzoxazol-2-yl(phenyl)methyl]piperazin-1-yl]-3-cyano-phenyl]-2-ethyl-butanamide Openeye Name: N-[4-[4-[1,3-benzoxazol-2-yl(phenyl)methyl]piperazin-1-yl]-3-cyano-phenyl]-2-ethyl-butanamide CAS Name: N-[4-[4-[1,3-benzoxazol-2-yl(phenyl)methyl]-1-piperazinyl]-3-cyanophenyl]-2-ethylbutanamide IUPAC Name: N-[4-[4-[1,3-benzoxazol-2-yl(phenyl)methyl]piperazin-1-yl]-3-cyanophenyl]-2-ethylbutanamide Traditional Name: N-[4-[4-[1,3-benzoxazol-2-yl(phenyl)methyl]piperazino]-3-cyano-phenyl]-2-ethyl-butyramide Formula: C31H33N5O2 MolecularWeight: 507.62602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=NC5=CC=CC=C5O4)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=NC5=CC=CC=C5O4)C#N

InChI

InChI=1S/C31H33N5O2/c1-3-22(4-2)30(37)33-25-14-15-27(24(20-25)21-32)35-16-18-36(19-17-35)29(23-10-6-5-7-11-23)31-34-26-12-8-9-13-28(26)38-31/h5-15,20,22,29H,3-4,16-19H2,1-2H3,(H,33,37)