(3aS,5S,9aS)-2-[(3-chlorophenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one

Systemtic Name: (3aS,5S,9aS)-2-[(3-chlorophenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one Openeye Name: (3aS,5S,9aS)-2-[(3-chlorophenyl)methyl]-5-(1-isopropylpyrazol-4-yl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one CAS Name: (3aS,5S,9aS)-2-[(3-chlorophenyl)methyl]-5-(1-propan-2-yl-4-pyrazolyl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one IUPAC Name: (3aS,5S,9aS)-2-[(3-chlorophenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one Traditional Name: (3aS,5S,9aS)-2-(3-chlorobenzyl)-5-(1-isopropylpyrazol-4-yl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one Formula: C22H27ClN4O MolecularWeight: 398.92898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2CC3CN(C(=O)C34N2CCC4)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CC(C)N1C=C(C=N1)[C@@H]2C[C@H]3CN(C(=O)[C@@]34N2CCC4)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H27ClN4O/c1-15(2)27-13-17(11-24-27)20-10-18-14-25(12-16-5-3-6-19(23)9-16)21(28)22(18)7-4-8-26(20)22/h3,5-6,9,11,13,15,18,20H,4,7-8,10,12,14H2,1-2H3/t18-,20-,22-/m0/s1