3,5-bis[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(phenylmethyl)piperidin-4-one

Systemtic Name: 3,5-bis[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(phenylmethyl)piperidin-4-one Openeye Name: 1-benzyl-3,5-bis[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]piperidin-4-one CAS Name: 3,5-bis[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-(phenylmethyl)-4-piperidinone IUPAC Name: 1-benzyl-3,5-bis[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]piperidin-4-one Traditional Name: 1-benzyl-3,5-bis[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-4-piperidone Formula: C32H37N3O MolecularWeight: 479.65568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C3CN(CC(=CC4=C(N(C(=C4)C)C5CC5)C)C3=O)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C=C3CN(CC(=CC4=C(N(C(=C4)C)C5CC5)C)C3=O)CC6=CC=CC=C6

InChI

InChI=1S/C32H37N3O/c1-21-14-26(23(3)34(21)30-10-11-30)16-28-19-33(18-25-8-6-5-7-9-25)20-29(32(28)36)17-27-15-22(2)35(24(27)4)31-12-13-31/h5-9,14-17,30-31H,10-13,18-20H2,1-4H3