piperidin-1-yl-[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]methanone

Systemtic Name: piperidin-1-yl-[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]methanone Openeye Name: 1-piperidyl-[3-[[2-(1-piperidyl)quinazolin-4-yl]amino]-1H-1,2,4-triazol-5-yl]methanone CAS Name: 1-piperidinyl-[3-[[2-(1-piperidinyl)-4-quinazolinyl]amino]-1H-1,2,4-triazol-5-yl]methanone IUPAC Name: piperidin-1-yl-[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]methanone Traditional Name: piperidino-[3-[(2-piperidinoquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]methanone Formula: C21H26N8O MolecularWeight: 406.48414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=N4)C(=O)N5CCCCC5

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=N4)C(=O)N5CCCCC5

InChI

InChI=1S/C21H26N8O/c30-19(28-11-5-1-6-12-28)18-24-20(27-26-18)23-17-15-9-3-4-10-16(15)22-21(25-17)29-13-7-2-8-14-29/h3-4,9-10H,1-2,5-8,11-14H2,(H2,22,23,24,25,26,27)