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

Systemtic Name: 4-[4-(7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Openeye Name: 4-[4-[7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-(7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine IUPAC Name: 4-[4-(7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Traditional Name: 4-[4-[7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C23H22N4OS/c1-16-4-9-20-19(15-16)22(25-26-23(24-20)21-3-2-14-29-21)17-5-7-18(8-6-17)27-10-12-28-13-11-27/h2-9,14-15,25H,10-13H2,1H3