N-butyl-7-chloranyl-5-phenyl-4H-1,3,4-benzotriazepin-2-amine

Systemtic Name: N-butyl-7-chloranyl-5-phenyl-4H-1,3,4-benzotriazepin-2-amine Openeye Name: N-butyl-7-chloro-5-phenyl-4H-1,3,4-benzotriazepin-2-amine CAS Name: N-butyl-7-chloro-5-phenyl-4H-1,3,4-benzotriazepin-2-amine IUPAC Name: N-butyl-7-chloro-5-phenyl-4H-1,3,4-benzotriazepin-2-amine Traditional Name: butyl-(7-chloro-5-phenyl-4H-1,3,4-benzotriazepin-2-yl)amine Formula: C18H19ClN4 MolecularWeight: 326.82326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NNC(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NNC(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H19ClN4/c1-2-3-11-20-18-21-16-10-9-14(19)12-15(16)17(22-23-18)13-7-5-4-6-8-13/h4-10,12,22H,2-3,11H2,1H3,(H,20,23)