4-[3-[3-(1H-pyrrol-2-ylcarbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propylamino]benzenecarbonitrile

Systemtic Name: 4-[3-[3-(1H-pyrrol-2-ylcarbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propylamino]benzenecarbonitrile Openeye Name: 4-[3-[3-(1H-pyrrole-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propylamino]benzonitrile CAS Name: 4-[3-[3-[oxo(1H-pyrrol-2-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propylamino]benzonitrile IUPAC Name: 4-[3-[3-(1H-pyrrole-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propylamino]benzonitrile Traditional Name: 4-[3-[3-(1H-pyrrole-2-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propylamino]benzonitrile Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC1N2CCCNC3=CC=C(C=C3)C#N)C(=O)C4=CC=CN4

Isomeric SMILES

C1CC2CN(CC1N2CCCNC3=CC=C(C=C3)C#N)C(=O)C4=CC=CN4

InChI

InChI=1S/C21H25N5O/c22-13-16-4-6-17(7-5-16)23-11-2-12-26-18-8-9-19(26)15-25(14-18)21(27)20-3-1-10-24-20/h1,3-7,10,18-19,23-24H,2,8-9,11-12,14-15H2