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

Systemtic Name: 4-[4-[2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-[2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H26N4O2/c1-18-3-12-24-23(17-18)25(19-4-8-21(9-5-19)30-13-15-32-16-14-30)28-29-26(27-24)20-6-10-22(31-2)11-7-20/h3-12,17,28H,13-16H2,1-2H3