4-[4-[7-methyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine

Systemtic Name: 4-[4-[7-methyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[7-methyl-2-(p-tolyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[7-methyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[7-methyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-[7-methyl-2-(p-tolyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H26N4O/c1-18-3-6-21(7-4-18)26-27-24-12-5-19(2)17-23(24)25(28-29-26)20-8-10-22(11-9-20)30-13-15-31-16-14-30/h3-12,17,28H,13-16H2,1-2H3