2-[(6R,8aS)-6-[1-(3-chlorophenyl)-1,2,3-triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[(6R,8aS)-6-[1-(3-chlorophenyl)-1,2,3-triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile Openeye Name: 2-[(6R,8aS)-6-[1-(3-chlorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile CAS Name: 2-[(6R,8aS)-6-[1-(3-chlorophenyl)-4-triazolyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[(6R,8aS)-6-[1-(3-chlorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridine-3-carbonitrile Traditional Name: 2-[(6R,8aS)-6-[1-(3-chlorophenyl)triazol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]nicotinonitrile Formula: C21H20ClN7 MolecularWeight: 405.8834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C1CN(CC2)C3=C(C=CC=N3)C#N)C4=CN(N=N4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1C[C@@H](N2[C@@H]1CN(CC2)C3=C(C=CC=N3)C#N)C4=CN(N=N4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H20ClN7/c22-16-4-1-5-17(11-16)29-14-19(25-26-29)20-7-6-18-13-27(9-10-28(18)20)21-15(12-23)3-2-8-24-21/h1-5,8,11,14,18,20H,6-7,9-10,13H2/t18-,20+/m0/s1