5-[4-[4-[5-cyano-1-(phenylmethyl)indol-3-yl]butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-[4-[4-[5-cyano-1-(phenylmethyl)indol-3-yl]butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-[4-[4-(1-benzyl-5-cyano-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxamide CAS Name: 5-[4-[4-[5-cyano-1-(phenylmethyl)-3-indolyl]butyl]-1-piperazinyl]-2-benzofurancarboxamide IUPAC Name: 5-[4-[4-(1-benzyl-5-cyanoindol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-[4-[4-(1-benzyl-5-cyano-indol-3-yl)butyl]piperazino]coumarilamide Formula: C33H33N5O2 MolecularWeight: 531.64742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CN(C3=C2C=C(C=C3)C#N)CC4=CC=CC=C4)C5=CC6=C(C=C5)OC(=C6)C(=O)N

Isomeric SMILES

C1CN(CCN1CCCCC2=CN(C3=C2C=C(C=C3)C#N)CC4=CC=CC=C4)C5=CC6=C(C=C5)OC(=C6)C(=O)N

InChI

InChI=1S/C33H33N5O2/c34-21-25-9-11-30-29(18-25)26(23-38(30)22-24-6-2-1-3-7-24)8-4-5-13-36-14-16-37(17-15-36)28-10-12-31-27(19-28)20-32(40-31)33(35)39/h1-3,6-7,9-12,18-20,23H,4-5,8,13-17,22H2,(H2,35,39)