5-[3-(diethylamino)propylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[3-(diethylamino)propylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[3-(diethylamino)propylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-[3-(diethylamino)propylamino]-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-[3-(diethylamino)propylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[3-(diethylamino)propylamino]-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C#N

Isomeric SMILES

CCN(CC)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C#N

InChI

InChI=1S/C21H29N5O3S/c1-3-25(4-2)13-7-12-23-21-19(16-22)24-20(29-21)17-8-10-18(11-9-17)30(27,28)26-14-5-6-15-26/h8-11,23H,3-7,12-15H2,1-2H3