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

Systemtic Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-3-isopropyl-8-methyl-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-1-[4-(2-imidazolin-2-ylmethyl)phenyl]-3-isopropyl-8-methyl-1,3,4-benzotriazepin-2-one Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)CC4=NCCN4)C(C)C)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)CC4=NCCN4)C(C)C)C5CCCCC5

InChI

InChI=1S/C28H35N5O/c1-19(2)33-28(34)32(23-12-10-21(11-13-23)18-26-29-15-16-30-26)25-17-20(3)9-14-24(25)27(31-33)22-7-5-4-6-8-22/h9-14,17,19,22H,4-8,15-16,18H2,1-3H3,(H,29,30)