(E)-N-[4-[4-(benzotriazol-1-yl)piperazin-1-yl]butyl]-3-pyridin-3-yl-prop-2-enamide

Systemtic Name: (E)-N-[4-[4-(benzotriazol-1-yl)piperazin-1-yl]butyl]-3-pyridin-3-yl-prop-2-enamide Openeye Name: (E)-N-[4-[4-(benzotriazol-1-yl)piperazin-1-yl]butyl]-3-(3-pyridyl)prop-2-enamide CAS Name: (E)-N-[4-[4-(1-benzotriazolyl)-1-piperazinyl]butyl]-3-(3-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[4-[4-(benzotriazol-1-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide Traditional Name: (E)-N-[4-[4-(benzotriazol-1-yl)piperazino]butyl]-3-(3-pyridyl)acrylamide Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C=CC2=CN=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)/C=C/C2=CN=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H27N7O/c30-22(10-9-19-6-5-11-23-18-19)24-12-3-4-13-27-14-16-28(17-15-27)29-21-8-2-1-7-20(21)25-26-29/h1-2,5-11,18H,3-4,12-17H2,(H,24,30)/b10-9+