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

Systemtic Name: 4-[4-[2-(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[7-isopropyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[2-(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-[7-isopropyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O2/c1-19(2)22-8-13-26-25(18-22)27(20-4-9-23(10-5-20)32-14-16-34-17-15-32)30-31-28(29-26)21-6-11-24(33-3)12-7-21/h4-13,18-19,30H,14-17H2,1-3H3