1-(4-nitrophenyl)-3-(phenylmethyl)-5-propan-2-yl-1,3,4-benzotriazepin-2-one

Systemtic Name: 1-(4-nitrophenyl)-3-(phenylmethyl)-5-propan-2-yl-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-5-isopropyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 1-(4-nitrophenyl)-3-(phenylmethyl)-5-propan-2-yl-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-1-(4-nitrophenyl)-5-propan-2-yl-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-5-isopropyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=O)N(C2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NN(C(=O)N(C2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3/c1-17(2)23-21-10-6-7-11-22(21)27(19-12-14-20(15-13-19)28(30)31)24(29)26(25-23)16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3