4-(7-methoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline

Systemtic Name: 4-(7-methoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline Openeye Name: 4-[7-methoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-(7-methoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline IUPAC Name: 4-(7-methoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline Traditional Name: [4-[7-methoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-25(2)15-8-6-14(7-9-15)20-17-13-16(26-3)10-11-18(17)22-21(24-23-20)19-5-4-12-27-19/h4-13,23H,1-3H3