N-(2-methoxyethyl)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-(2-methoxyethyl)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: N-(2-methoxyethyl)-5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-amine CAS Name: N-(2-methoxyethyl)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-(2-methoxyethyl)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: 2-methoxyethyl-[5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC2=CC=CC=C2C(=NC1C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COCCNC1=NC2=CC=CC=C2C(=NC1C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3OS/c1-26-14-13-23-22-21(19-12-7-15-27-19)25-20(16-8-3-2-4-9-16)17-10-5-6-11-18(17)24-22/h2-12,15,21H,13-14H2,1H3,(H,23,24)