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

Systemtic Name: 1-(3-azanylpropyl)-5-cyclohexyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 1-(3-aminopropyl)-3-benzyl-5-cyclohexyl-1,3,4-benzotriazepin-2-one CAS Name: 1-(3-aminopropyl)-5-cyclohexyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(3-aminopropyl)-3-benzyl-5-cyclohexyl-1,3,4-benzotriazepin-2-one Traditional Name: 1-(3-aminopropyl)-3-benzyl-5-cyclohexyl-1,3,4-benzotriazepin-2-one Formula: C24H30N4O MolecularWeight: 390.5212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CCCN)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CCCN)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O/c25-16-9-17-27-22-15-8-7-14-21(22)23(20-12-5-2-6-13-20)26-28(24(27)29)18-19-10-3-1-4-11-19/h1,3-4,7-8,10-11,14-15,20H,2,5-6,9,12-13,16-18,25H2