2-(3-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(3-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(3-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(3-methoxyphenyl)-5-(5-quinoxalinylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(3-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(3-methoxyphenyl)-5-(quinoxalin-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=C5C(=CC=C4)N=CC=N5

InChI

InChI=1S/C25H23N3OS/c1-29-20-8-4-6-18(16-20)23-12-15-28(22-10-2-3-11-24(22)30-23)17-19-7-5-9-21-25(19)27-14-13-26-21/h2-11,13-14,16,23H,12,15,17H2,1H3