4-[4-(8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine

Systemtic Name: 4-[4-(8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine Openeye Name: 4-[4-[8-isopropyl-4-(2-thienyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]morpholine CAS Name: 4-[4-(8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine IUPAC Name: 4-[4-(8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine Traditional Name: 4-[4-[8-isopropyl-4-(2-thienyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]morpholine Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)N4CCOCC4)C5=CC=CS5

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)N4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C25H26N4OS/c1-17(2)19-7-10-21-22(16-19)27-24(28-25(26-21)23-4-3-15-31-23)18-5-8-20(9-6-18)29-11-13-30-14-12-29/h3-10,15-17H,11-14H2,1-2H3,(H,26,27,28)