[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-chloranyl-pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-chloranyl-pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[4-(benzotriazol-1-yl)-1-piperidyl]-5-chloro-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[4-(1-benzotriazolyl)-1-piperidinyl]-5-chloro-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-chloropyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[4-(benzotriazol-1-yl)piperidino]-5-chloro-3-pyridyl]-pyrrolidino-methanone Formula: C21H23ClN6O MolecularWeight: 410.89992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(N=C2)N3CCC(CC3)N4C5=CC=CC=C5N=N4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(N=C2)N3CCC(CC3)N4C5=CC=CC=C5N=N4)Cl

InChI

InChI=1S/C21H23ClN6O/c22-17-13-15(21(29)27-9-3-4-10-27)14-23-20(17)26-11-7-16(8-12-26)28-19-6-2-1-5-18(19)24-25-28/h1-2,5-6,13-14,16H,3-4,7-12H2