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

Systemtic Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-naphthalen-2-yl-prop-2-enenitrile Openeye Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-naphthyl)prop-2-enenitrile CAS Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-(2-naphthalenyl)-2-propenenitrile IUPAC Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-naphthalen-2-ylprop-2-enenitrile Traditional Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-naphthyl)acrylonitrile Formula: C35H34N2 MolecularWeight: 482.65786

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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=CC7=CC=CC=C7C=C6

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C(C#N)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C35H34N2/c1-23-13-31(18-32(22-36)30-8-7-28-5-3-4-6-29(28)17-30)24(2)37(23)34-11-9-33(10-12-34)35-19-25-14-26(20-35)16-27(15-25)21-35/h3-13,17-18,25-27H,14-16,19-21H2,1-2H3