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

Systemtic Name: 4-(7-ethoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline Openeye Name: 4-[7-ethoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[7-ethoxy-2-(3-pyridinyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-(7-ethoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline Traditional Name: [4-[7-ethoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C23H23N5O/c1-4-29-19-11-12-21-20(14-19)22(16-7-9-18(10-8-16)28(2)3)26-27-23(25-21)17-6-5-13-24-15-17/h5-15,26H,4H2,1-3H3