5-(1-adamantylcarbonyl)-4-azanyl-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile

Systemtic Name: 5-(1-adamantylcarbonyl)-4-azanyl-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile Openeye Name: 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile CAS Name: 5-[1-adamantyl(oxo)methyl]-4-amino-1-(4-bromophenyl)-2-methyl-3-pyrrolecarbonitrile IUPAC Name: 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methylpyrrole-3-carbonitrile Traditional Name: 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile Formula: C23H24BrN3O MolecularWeight: 438.36016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O/c1-13-19(12-25)20(26)21(27(13)18-4-2-17(24)3-5-18)22(28)23-9-14-6-15(10-23)8-16(7-14)11-23/h2-5,14-16H,6-11,26H2,1H3