N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-(3-pyridyl)isoxazole-3-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-5-(3-pyridinyl)-3-isoxazolecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-5-(3-pyridyl)isoxazole-3-carboxamide Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NOC(=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NOC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H25N5O2/c32-26(24-17-25(33-29-24)21-7-4-12-27-18-21)28-22-8-10-23(11-9-22)31-15-13-30(14-16-31)19-20-5-2-1-3-6-20/h1-12,17-18H,13-16,19H2,(H,28,32)