N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]adamantane-1-carboxamide CAS Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]adamantane-1-carboxamide Formula: C24H28BrN3O MolecularWeight: 454.40262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=N/NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28BrN3O/c1-15-7-20(16(2)28(15)22-5-3-21(25)4-6-22)14-26-27-23(29)24-11-17-8-18(12-24)10-19(9-17)13-24/h3-7,14,17-19H,8-13H2,1-2H3,(H,27,29)/b26-14+