2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[4-(phenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[4-(phenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-benzylpiperazin-1-yl)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[4-(phenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-benzylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-benzylpiperazino)oxazole-4-carbonitrile Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H31N5O3S/c28-20-25-27(31-18-16-30(17-19-31)21-22-8-4-3-5-9-22)35-26(29-25)23-10-12-24(13-11-23)36(33,34)32-14-6-1-2-7-15-32/h3-5,8-13H,1-2,6-7,14-19,21H2