5-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-2-pyrrol-1-yl-furan-3-carbonitrile

Systemtic Name: 5-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 5-methyl-4-(4-phenylpiperazine-1-carbonyl)-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 5-methyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 5-methyl-4-(4-phenylpiperazine-1-carbonyl)-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 5-methyl-4-(4-phenylpiperazine-1-carbonyl)-2-pyrrol-1-yl-3-furonitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-16-19(18(15-22)21(27-16)25-9-5-6-10-25)20(26)24-13-11-23(12-14-24)17-7-3-2-4-8-17/h2-10H,11-14H2,1H3