3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)acrylonitrile Formula: C31H31N3O2 MolecularWeight: 477.59674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C(C#N)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C(C#N)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H31N3O2/c1-20-10-26(14-27(19-32)25-4-3-5-30(15-25)34(35)36)21(2)33(20)29-8-6-28(7-9-29)31-16-22-11-23(17-31)13-24(12-22)18-31/h3-10,14-15,22-24H,11-13,16-18H2,1-2H3