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

Systemtic Name: 5-cyclohexyl-8-methyl-1-[5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-yl]-3-(oxan-4-yl)-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-8-methyl-1-[5-[(1-methyl-4-piperidyl)methylamino]-2-pyridyl]-3-tetrahydropyran-4-yl-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-8-methyl-1-[5-[(1-methyl-4-piperidinyl)methylamino]-2-pyridinyl]-3-(4-oxanyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-8-methyl-1-[5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-yl]-3-(oxan-4-yl)-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-8-methyl-1-[5-[(1-methyl-4-piperidyl)methylamino]-2-pyridyl]-3-tetrahydropyran-4-yl-1,3,4-benzotriazepin-2-one Formula: C32H44N6O2 MolecularWeight: 544.73076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=NC=C(C=C3)NCC4CCN(CC4)C)C5CCOCC5)C6CCCCC6

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=NC=C(C=C3)NCC4CCN(CC4)C)C5CCOCC5)C6CCCCC6

InChI

InChI=1S/C32H44N6O2/c1-23-8-10-28-29(20-23)37(30-11-9-26(22-34-30)33-21-24-12-16-36(2)17-13-24)32(39)38(27-14-18-40-19-15-27)35-31(28)25-6-4-3-5-7-25/h8-11,20,22,24-25,27,33H,3-7,12-19,21H2,1-2H3