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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)N(C2=C(C=CC(=C2)C)C(=N1)C3CCCCC3)C4=CC=C(C=C4)NCCC5=NC=CN5

Isomeric SMILES

CCCN1C(=O)N(C2=C(C=CC(=C2)C)C(=N1)C3CCCCC3)C4=CC=C(C=C4)NCCC5=NC=CN5

InChI

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