2-[4-[2-oxidanylidene-3-(phenylmethyl)-5-propan-2-yl-1,3,4-benzotriazepin-1-yl]phenyl]guanidine

Systemtic Name: 2-[4-[2-oxidanylidene-3-(phenylmethyl)-5-propan-2-yl-1,3,4-benzotriazepin-1-yl]phenyl]guanidine Openeye Name: 2-[4-(3-benzyl-5-isopropyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]guanidine CAS Name: 2-[4-[2-oxo-3-(phenylmethyl)-5-propan-2-yl-1,3,4-benzotriazepin-1-yl]phenyl]guanidine IUPAC Name: 2-[4-(3-benzyl-2-oxo-5-propan-2-yl-1,3,4-benzotriazepin-1-yl)phenyl]guanidine Traditional Name: 2-[4-(3-benzyl-5-isopropyl-2-keto-1,3,4-benzotriazepin-1-yl)phenyl]guanidine Formula: C25H26N6O MolecularWeight: 426.51354

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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=C(N)N)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NN(C(=O)N(C2=CC=CC=C21)C3=CC=C(C=C3)N=C(N)N)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N6O/c1-17(2)23-21-10-6-7-11-22(21)31(20-14-12-19(13-15-20)28-24(26)27)25(32)30(29-23)16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H4,26,27,28)