N-(isoquinolin-1-ylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(isoquinolin-1-ylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanamide Openeye Name: N-(1-isoquinolylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanamide CAS Name: N-(1-isoquinolinylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide IUPAC Name: N-(isoquinolin-1-ylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide Traditional Name: N-(1-isoquinolylmethyl)-4-keto-4-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]butyramide Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)NCC3=NC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)NCC3=NC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C30H28N4O3/c1-37-24-13-11-23(12-14-24)28-19-26(22-8-3-2-4-9-22)33-34(28)30(36)16-15-29(35)32-20-27-25-10-6-5-7-21(25)17-18-31-27/h2-14,17-18,28H,15-16,19-20H2,1H3,(H,32,35)/t28-/m1/s1