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

Systemtic Name: 4-[4-[2-(4-ethoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[2-(4-ethoxyphenyl)-7-isopropyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(4-ethoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[2-(4-ethoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-(7-isopropyl-2-p-phenetyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C(C)C)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C(C)C)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C29H32N4O2/c1-4-35-25-12-7-22(8-13-25)29-30-27-14-9-23(20(2)3)19-26(27)28(31-32-29)21-5-10-24(11-6-21)33-15-17-34-18-16-33/h5-14,19-20,31H,4,15-18H2,1-3H3