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

Systemtic Name: 4-[4-(7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Openeye Name: 4-[4-[7-isopropyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-(7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine IUPAC Name: 4-[4-(7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Traditional Name: 4-[4-[7-isopropyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

InChI

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