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

Systemtic Name: 4-(7-methoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline Openeye Name: 4-[7-methoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[7-methoxy-2-(3-pyridinyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-(7-methoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline Traditional Name: [4-[7-methoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C22H21N5O MolecularWeight: 371.43504

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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=CN=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O/c1-27(2)17-8-6-15(7-9-17)21-19-13-18(28-3)10-11-20(19)24-22(26-25-21)16-5-4-12-23-14-16/h4-14,25H,1-3H3