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

Systemtic Name: 5-(4-butoxyphenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepine Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2/c1-3-4-16-30-20-12-10-18(11-13-20)24-22-17-21(29-2)14-15-23(22)26-25(28-27-24)19-8-6-5-7-9-19/h5-15,17,27H,3-4,16H2,1-2H3