1-(phenylmethyl)-3-[3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]phenyl]urea

Systemtic Name: 1-(phenylmethyl)-3-[3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]phenyl]urea Openeye Name: 1-benzyl-3-[3-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methylamino]phenyl]urea CAS Name: 1-(phenylmethyl)-3-[3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]phenyl]urea IUPAC Name: 1-benzyl-3-[3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]phenyl]urea Traditional Name: 1-benzyl-3-[3-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methylamino]phenyl]urea Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC(=CC=C2)NCC3=NC(=NN3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC(=CC=C2)NCC3=NC(=NN3)C4=CC=NC=C4

InChI

InChI=1S/C22H21N7O/c30-22(25-14-16-5-2-1-3-6-16)26-19-8-4-7-18(13-19)24-15-20-27-21(29-28-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H2,25,26,30)(H,27,28,29)