7-methoxy-5-[4-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-methoxy-5-[4-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-isobutoxyphenyl)-7-methoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-methoxy-5-[4-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-methoxy-5-[4-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-isobutoxyphenyl)-7-methoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OC

InChI

InChI=1S/C23H23N3O2S/c1-15(2)14-28-17-8-6-16(7-9-17)22-19-13-18(27-3)10-11-20(19)24-23(26-25-22)21-5-4-12-29-21/h4-13,15,25H,14H2,1-3H3