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

Systemtic Name: 5-cyclohexyl-8-methyl-1-[5-[2-[(1-methylpiperidin-4-yl)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-[(1-methyl-4-piperidyl)methylamino]ethylamino]-2-pyridyl]-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-8-methyl-1-[5-[2-[(1-methyl-4-piperidinyl)methylamino]ethylamino]-2-pyridinyl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-8-methyl-1-[5-[2-[(1-methylpiperidin-4-yl)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-[(1-methyl-4-piperidyl)methylamino]ethylamino]-2-pyridyl]-1,3,4-benzotriazepin-2-one Formula: C32H47N7O MolecularWeight: 545.76188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=NC=C(C=C3)NCCNCC4CCN(CC4)C)C(C)C)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=NC=C(C=C3)NCCNCC4CCN(CC4)C)C(C)C)C5CCCCC5

InChI

InChI=1S/C32H47N7O/c1-23(2)39-32(40)38(29-20-24(3)10-12-28(29)31(36-39)26-8-6-5-7-9-26)30-13-11-27(22-35-30)34-17-16-33-21-25-14-18-37(4)19-15-25/h10-13,20,22-23,25-26,33-34H,5-9,14-19,21H2,1-4H3