3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

Systemtic Name: 3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide Openeye Name: 3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-(2-furylmethyl)prop-2-enamide CAS Name: 3-[3-[3-(1-azepanylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]-2-cyano-N-(2-furanylmethyl)-2-propenamide IUPAC Name: 3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide Traditional Name: 3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-(2-furfuryl)acrylamide Formula: C30H29N5O4S MolecularWeight: 555.64736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N5O4S/c31-20-24(30(36)32-21-27-13-9-17-39-27)18-25-22-35(26-11-4-3-5-12-26)33-29(25)23-10-8-14-28(19-23)40(37,38)34-15-6-1-2-7-16-34/h3-5,8-14,17-19,22H,1-2,6-7,15-16,21H2,(H,32,36)