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

Systemtic Name: 5-(cyclohexylmethyl)-3-(phenylmethyl)-4H-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-5-(cyclohexylmethyl)-4H-1,3,4-benzotriazepin-2-one CAS Name: 5-(cyclohexylmethyl)-3-(phenylmethyl)-4H-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-5-(cyclohexylmethyl)-4H-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-5-(cyclohexylmethyl)-4H-1,3,4-benzotriazepin-2-one Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=C3C=CC=CC3=NC(=O)N(N2)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CC2=C3C=CC=CC3=NC(=O)N(N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c26-22-23-20-14-8-7-13-19(20)21(15-17-9-3-1-4-10-17)24-25(22)16-18-11-5-2-6-12-18/h2,5-8,11-14,17,24H,1,3-4,9-10,15-16H2