5-(4-butoxyphenyl)-7-methyl-2-phenyl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-7-methyl-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-methyl-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-methyl-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-methyl-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-methyl-2-phenyl-4H-1,3,4-benzotriazepine Formula: C25H25N3O MolecularWeight: 383.4855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O/c1-3-4-16-29-21-13-11-19(12-14-21)24-22-17-18(2)10-15-23(22)26-25(28-27-24)20-8-6-5-7-9-20/h5-15,17,27H,3-4,16H2,1-2H3