5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-5-cyclohexyl-1-[4-(2-imidazolin-2-ylamino)phenyl]-1,3,4-benzotriazepin-2-one Formula: C30H32N6O MolecularWeight: 492.61468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)NC5=NCCN5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)NC5=NCCN5)CC6=CC=CC=C6

InChI

InChI=1S/C30H32N6O/c37-30-35(21-22-9-3-1-4-10-22)34-28(23-11-5-2-6-12-23)26-13-7-8-14-27(26)36(30)25-17-15-24(16-18-25)33-29-31-19-20-32-29/h1,3-4,7-10,13-18,23H,2,5-6,11-12,19-21H2,(H2,31,32,33)