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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-phenylpiperazin-1-yl)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(4-phenyl-1-piperazinyl)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-phenylpiperazino)oxazole-4-carbonitrile Formula: C26H29N5O3S MolecularWeight: 491.60516

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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)C5=CC=CC=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3S/c27-20-24-26(30-18-16-29(17-19-30)22-8-4-3-5-9-22)34-25(28-24)21-10-12-23(13-11-21)35(32,33)31-14-6-1-2-7-15-31/h3-5,8-13H,1-2,6-7,14-19H2