2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-[(phenylmethyl)amino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-[(phenylmethyl)amino]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(benzylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-[(phenylmethyl)amino]-4-oxazolecarbonitrile IUPAC Name: 5-(benzylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(benzylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]oxazole-4-carbonitrile Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC(=C(O4)NCC5=CC=CC=C5)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC(=C(O4)NCC5=CC=CC=C5)C#N

InChI

InChI=1S/C26H22N4O3S/c27-16-24-26(28-17-19-6-2-1-3-7-19)33-25(29-24)21-10-12-23(13-11-21)34(31,32)30-15-14-20-8-4-5-9-22(20)18-30/h1-13,28H,14-15,17-18H2