3-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: 3-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 3-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-3-pyrrolyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: 3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H27N5O3/c1-19-9-10-25(32(34)35)17-26(19)31-20(2)15-22(21(31)3)16-23(18-28)27(33)30-13-11-29(12-14-30)24-7-5-4-6-8-24/h4-10,15-17H,11-14H2,1-3H3