N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(phenylmethyl)indole-3-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(phenylmethyl)indole-3-carboxamide Openeye Name: 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]indole-3-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-1-(phenylmethyl)-3-indolecarboxamide IUPAC Name: 1-benzyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]indole-3-carboxamide Traditional Name: 1-benzyl-N-[6-(3-ketopiperazino)-3-pyridyl]indole-3-carboxamide Formula: C25H23N5O2 MolecularWeight: 425.48242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O2/c31-24-17-29(13-12-26-24)23-11-10-19(14-27-23)28-25(32)21-16-30(15-18-6-2-1-3-7-18)22-9-5-4-8-20(21)22/h1-11,14,16H,12-13,15,17H2,(H,26,31)(H,28,32)