5-cyclohexyl-8-methyl-1-[5-[2-(methylamino)ethylamino]pyridin-2-yl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-8-methyl-1-[5-[2-(methylamino)ethylamino]pyridin-2-yl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-3-isopropyl-8-methyl-1-[5-[2-(methylamino)ethylamino]-2-pyridyl]-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-8-methyl-1-[5-[2-(methylamino)ethylamino]-2-pyridinyl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-8-methyl-1-[5-[2-(methylamino)ethylamino]pyridin-2-yl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-3-isopropyl-8-methyl-1-[5-[2-(methylamino)ethylamino]-2-pyridyl]-1,3,4-benzotriazepin-2-one Formula: C26H36N6O MolecularWeight: 448.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=NC=C(C=C3)NCCNC)C(C)C)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=NC=C(C=C3)NCCNC)C(C)C)C4CCCCC4

InChI

InChI=1S/C26H36N6O/c1-18(2)32-26(33)31(24-13-11-21(17-29-24)28-15-14-27-4)23-16-19(3)10-12-22(23)25(30-32)20-8-6-5-7-9-20/h10-13,16-18,20,27-28H,5-9,14-15H2,1-4H3