8-chloranyl-5-cyclohexyl-1-[5-[2-(oxan-4-ylamino)ethylamino]pyridin-2-yl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one

Systemtic Name: 8-chloranyl-5-cyclohexyl-1-[5-[2-(oxan-4-ylamino)ethylamino]pyridin-2-yl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one Openeye Name: 8-chloro-5-cyclohexyl-3-isopropyl-1-[5-[2-(tetrahydropyran-4-ylamino)ethylamino]-2-pyridyl]-1,3,4-benzotriazepin-2-one CAS Name: 8-chloro-5-cyclohexyl-1-[5-[2-(4-oxanylamino)ethylamino]-2-pyridinyl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one IUPAC Name: 8-chloro-5-cyclohexyl-1-[5-[2-(oxan-4-ylamino)ethylamino]pyridin-2-yl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one Traditional Name: 8-chloro-5-cyclohexyl-3-isopropyl-1-[5-[2-(tetrahydropyran-4-ylamino)ethylamino]-2-pyridyl]-1,3,4-benzotriazepin-2-one Formula: C29H39ClN6O2 MolecularWeight: 539.11196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)N(C2=C(C=CC(=C2)Cl)C(=N1)C3CCCCC3)C4=NC=C(C=C4)NCCNC5CCOCC5

Isomeric SMILES

CC(C)N1C(=O)N(C2=C(C=CC(=C2)Cl)C(=N1)C3CCCCC3)C4=NC=C(C=C4)NCCNC5CCOCC5

InChI

InChI=1S/C29H39ClN6O2/c1-20(2)36-29(37)35(26-18-22(30)8-10-25(26)28(34-36)21-6-4-3-5-7-21)27-11-9-24(19-33-27)32-15-14-31-23-12-16-38-17-13-23/h8-11,18-21,23,31-32H,3-7,12-17H2,1-2H3