5-cyclohexyl-3-(phenylmethyl)-4H-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-3-(phenylmethyl)-4H-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-5-cyclohexyl-4H-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-3-(phenylmethyl)-4H-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-5-cyclohexyl-4H-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-5-cyclohexyl-4H-1,3,4-benzotriazepin-2-one Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C=CC=CC3=NC(=O)N(N2)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=C3C=CC=CC3=NC(=O)N(N2)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c25-21-22-19-14-8-7-13-18(19)20(17-11-5-2-6-12-17)23-24(21)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17,23H,2,5-6,11-12,15H2