1-[1-(phenylmethyl)piperidin-4-yl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-4-yl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-[1-(phenylmethyl)-4-piperidinyl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-[4-(1,2,4-triazol-1-ylmethyl)benzyl]urea Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O/c30-23(25-14-19-6-8-21(9-7-19)16-29-18-24-17-26-29)27-22-10-12-28(13-11-22)15-20-4-2-1-3-5-20/h1-9,17-18,22H,10-16H2,(H2,25,27,30)