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

Systemtic Name: N,N-dimethyl-4-(7-methyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)aniline Openeye Name: N,N-dimethyl-4-[7-methyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]aniline CAS Name: N,N-dimethyl-4-[7-methyl-2-(3-pyridinyl)-4H-1,3,4-benzotriazepin-5-yl]aniline IUPAC Name: N,N-dimethyl-4-(7-methyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)aniline Traditional Name: dimethyl-[4-[7-methyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]amine Formula: C22H21N5 MolecularWeight: 355.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C22H21N5/c1-15-6-11-20-19(13-15)21(16-7-9-18(10-8-16)27(2)3)25-26-22(24-20)17-5-4-12-23-14-17/h4-14,25H,1-3H3