5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-3-isopropyl-8-methyl-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-3-isopropyl-8-methyl-1,3,4-benzotriazepin-2-one Formula: C29H36N6O MolecularWeight: 484.63574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)NCCC4=NC=CN4)C(C)C)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)NCCC4=NC=CN4)C(C)C)C5CCCCC5

InChI

InChI=1S/C29H36N6O/c1-20(2)35-29(36)34(24-12-10-23(11-13-24)30-16-15-27-31-17-18-32-27)26-19-21(3)9-14-25(26)28(33-35)22-7-5-4-6-8-22/h9-14,17-20,22,30H,4-8,15-16H2,1-3H3,(H,31,32)