4-azanyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-phenylazanyl-thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-phenylazanyl-thiophene-3-carbonitrile Openeye Name: 4-amino-2-anilino-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiophene-3-carbonitrile CAS Name: 4-amino-2-anilino-5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-thiophenecarbonitrile IUPAC Name: 4-amino-2-anilino-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiophene-3-carbonitrile Traditional Name: 4-amino-2-anilino-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiophene-3-carbonitrile Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C(=C(S3)NC4=CC=CC=C4)C#N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C(=C(S3)NC4=CC=CC=C4)C#N)N

InChI

InChI=1S/C21H18N4OS/c22-12-17-18(23)19(27-20(17)24-16-8-2-1-3-9-16)21(26)25-11-10-14-6-4-5-7-15(14)13-25/h1-9,24H,10-11,13,23H2